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154229-18-2

Basic Information
CAS No.: 154229-18-2
Name: 17-(3-pyridyl)-5,16-androstadien-3beta-acetate
Article Data: 58
Molecular Structure:
Molecular Structure of 154229-18-2 (17-(3-pyridyl)-5,16-androstadien-3beta-acetate)
Formula: C26H33NO2
Molecular Weight: 391.554
Synonyms: Abirateroneacetate;CB 7630;(3β)-17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate;Abiraterone acetate;
EINECS: 620-314-7
Density: 1.14 g/cm3
Melting Point: 127-130°C
Boiling Point: 506.709 °C at 760 mmHg
Flash Point: 260.249 °C
PSA: 39.19000
LogP: 5.96940
Synthetic route

C28H40O4

154229-18-2

abiraterone acetate

Conditions
ConditionsYield
With hydroxylamine hydrochloride In acetonitrile97%
With hydroxylamine hydrochloride In acetonitrile97%
108-24-7

acetic anhydride

154229-19-3

abiraterone

154229-18-2

abiraterone acetate

Conditions
ConditionsYield
With dmap In acetone at 20 - 65℃; for 1h;95.3%
With pyridine; dmap; triethylamine at 0 - 20℃; for 5h;95%
With pyridine In acetonitrile Reflux; Large scale;91.6%
115375-60-5

3β-acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulphonate

89878-14-8

3-Diethylboranylpyridine

154229-18-2

abiraterone acetate

Conditions
ConditionsYield
With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate In tetrahydrofuran at 65℃; for 4h; Reflux;95%
With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate In tetrahydrofuran; water for 1h; Reflux;95%
With bis-triphenylphosphine-palladium(II) chloride; sodium hydrogencarbonate In tetrahydrofuran; water at 60℃; for 1h;94%
1692-25-7

3-pyridylboronic acid

17-iodoandrosta-5,16-dien-3β-ol 3-acetate

154229-18-2

abiraterone acetate

Conditions
ConditionsYield
Stage #1: 3-pyridylboronic acid With [1,1-bis(di-tert-butylphosphino)ferrocene]palladium(II)dichloride; XPhos at 20℃; for 0.75h; Inert atmosphere;
Stage #2: 17-iodoandrosta-5,16-dien-3β-ol 3-acetate With triethylamine at 40℃; for 10h; Reagent/catalyst; Temperature; Inert atmosphere;
95%

C24H31NO*C2HF3O2

75-36-5

acetyl chloride

154229-18-2

abiraterone acetate

Conditions
ConditionsYield
With triethylamine In ethyl acetate at 5 - 20℃; for 0.5h; Reagent/catalyst;90%
75-36-5

acetyl chloride

154229-19-3

abiraterone

154229-18-2

abiraterone acetate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In diethyl ether at 20℃; for 4h;85.1%
With 2-(Dimethylamino)pyridine; triethylamine In diethyl ether; ethanol; hexane; water84%
With triethylamine In ethyl acetate at 5 - 20℃; for 2h;83%
626-55-1

3-Bromopyridine

853-23-6

prasterone acetate

154229-18-2

abiraterone acetate

Conditions
ConditionsYield
In diethyl ether at 0 - 20℃; for 18h;84.7%
petroleum-diethyl ether

petroleum-diethyl ether

115375-60-5

3β-acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulphonate

89878-14-8

3-Diethylboranylpyridine

154229-18-2

abiraterone acetate

Conditions
ConditionsYield
With sodium carbonate In tetrahydrofuran; bis(triphenylphosphine)palladium(II)-chloride84%

abiraterone acetate phosphate

154229-18-2

abiraterone acetate

Conditions
ConditionsYield
With sodium hydrogencarbonate In dichloromethane; water for 2h;79.2%
115375-60-5

3β-acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulphonate

1692-25-7

3-pyridylboronic acid

154229-18-2

abiraterone acetate

Conditions
ConditionsYield
Stage #1: 3β-acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulphonate With copper(l) iodide; palladium dichloride In water at 20℃; for 0.0833333h; Suzuki Coupling; Inert atmosphere; Green chemistry;
Stage #2: 3-pyridylboronic acid With sodium carbonate In water at 75℃; Suzuki Coupling; Inert atmosphere; Green chemistry;
79%
With potassium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In 1,4-dioxane; water at 80℃; for 1h; Suzuki Coupling; Inert atmosphere;73%
With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate In water at -5 - 5℃; Inert atmosphere; Reflux;4.5 g
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154229-19-3
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    154229-18-2

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    154229-18-2

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    154229-18-2

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    154229-18-2

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  • Casno:

    154229-18-2

    Abiraterone acetate

    Min.Order: 1 Gram

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    Product Name: Abiraterone acetate CAS: 154229-18-2 MF: C26H33NO2 MW: 391.55 EINECS: 620-314-7 Mol File: 154229-18-2.mol Abiraterone acetate Structure Abiraterone acetate Chemical Properties Melting point 127-130°C Boiling

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  • Abiraterone acetate with CAS:154229-18-2

  • Casno:

    154229-18-2

    Abiraterone acetate with CAS:154229-18-2

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 20.0-35.0

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  • Abiraterone acetate

  • Casno:

    154229-18-2

    Abiraterone acetate

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    Beluga chemical professional supply Abiraterone acetate 1. Beluga Chemical has a professional RESEARCH and development team and strong technical force to ensure technical support and research capabilities. 2. Made in China and exported to many co

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  • Top quality Abiraterone Acetate

  • Casno:

    154229-18-2

    Top quality Abiraterone Acetate

    Min.Order: 10 Gram

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  • Abiraterone acetate CAS 154229-18-2

  • Casno:

    154229-18-2

    Abiraterone acetate CAS 154229-18-2

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 1.0-1.0

    Jinlan Pharm is professional producer and supplier for Abiraterone acetate. We have completed commercial quantity production of Abiraterone acetate with DMF and Local GMP.If you want to order Abiraterone acetate, please let us know. Appearance:w

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  • Factory supply 17-(3-pyridyl)-5,16-androstadien-3beta-acetate

  • Casno:

    154229-18-2

    Factory supply 17-(3-pyridyl)-5,16-androstadien-3beta-acetate

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    17-(3-pyridyl)-5,16-androstadien-3beta-acetate CAS: 154229-18-2 Specification Item Standard Identification A.H-NMR:Comply with the structure B.LC-MS:Comply with the structure

    Lonwin industry group limited.is a comprehensive chemical enterprise which mainly integrates development, production, marketing ,import and export business. The company is located

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    Address:No#966,Huaxu Road,Shanghai 201702,P.R.China

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  • Androsta-5,16-dien-3-ol,17-(3-pyridinyl)-, acetate (ester), (3b)-

  • Casno:

    154229-18-2

    Androsta-5,16-dien-3-ol,17-(3-pyridinyl)-, acetate (ester), (3b)-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Henan Wentao Chemical Product Co.,Ltd is Located in Zhengzhou High-tech Development Zone with import and export license, We passed ISO 9001:2008 as well, Henan Wentao has developed more than 1000 compounds, which are widely used in the fields of prod

    The company is Located in Zhengzhou High-tech Development Zone with import and export license, We passed ISO 9001:2008 as well, Henan Wentao has developed more than 1000 compounds,

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    Address:32 Room, 5th Floor, Building 11, No. 6 Yinxing Road, High-tech Industrial Development Zone, Zhengzhou City, Henan Province

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  • Abiraterone Acetate

  • Casno:

    154229-18-2

    Abiraterone Acetate

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

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  • Top1 supplier and exporter of Abiraterone acetate(CB7630) cas  154229-18-2  in China

  • Casno:

    154229-18-2

    Top1 supplier and exporter of Abiraterone acetate(CB7630) cas 154229-18-2 in China

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    Fandachem is China-based top1 exporter and supplier of Abiraterone acetate(CB7630), CAS NO.: 154229-18-2,please contact for price of Abiraterone acetate(CB7630), CAS NO.: 154229-18-2 and also you can send us email to get Certificate of Analysis(COA

    Welcome to Hangzhou Fandachem Co.,Ltd (www.FandaChem.com) Hangzhou Fandachem Co.,Ltd (Fandachem),an experienced and professional China-based Fine Chemical supplier. We supply the

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  • 17-(3-pyridyl)-5,16-androstadien-3beta-acetate

  • Casno:

    154229-18-2

    17-(3-pyridyl)-5,16-androstadien-3beta-acetate

    Min.Order: 100 Metric Ton

    FOB Price:  USD $ 0.0-0.0

    Appearance: Off-white solid Storage:Store in a cool,dry place and keep away from direct strong light Package:As customer request Application:Used for research and industrial manufacture. Transportation:Common products:Sea/Air/Co

    Triumph International Development Limilted is engaged in the API, pharmaceutical intermediates research and developmen.Adhering to the "customer first" business philosophy,we suppl

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    Tel:+86-536-7971999

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Specification

The Abiraterone acetate, with the cas registry number 154229-18-2, has the systematic name of (3β)-17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate. It belongs to the following product categories: Intermediates & Fine Chemicals; Pharmaceuticals; Steroids. And the molecular formula of the chemical is C26H33NO2. Abiraterone acetate is a drug used in castration-resistant prostate cancer (formerly hormone-resistant or hormone-refractory prostate cancer)

Physical properties about Abiraterone acetate are: (1)ACD/LogP: 6.553; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.34; (4)ACD/LogD (pH 7.4): 6.55; (5)ACD/BCF (pH 5.5): 34167.65 ; (6)ACD/BCF (pH 7.4): 55820.07; (7)ACD/KOC (pH 5.5): 53107.44; (8)ACD/KOC (pH 7.4): 86762.22; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.584; (12)Molar Refractivity: 114.773 cm3; (13)Molar Volume: 343.042 cm3; (14)Polarizability: 45.5 10-24cm3; (15)Surface Tension: 47.4580001831055 dyne/cm; (16)Density: 1.141 g/cm3; (17)Flash Point: 260.249 °C; (18)Enthalpy of Vaporization: 77.666 kJ/mol; (19)Boiling Point: 506.709 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@@H]2C/C1=C/C[C@@H]4[C@@H]([C@@]1(C)CC2)CC[C@@]3(C(=C/C[C@H]34)\c5cccnc5)C)C
(2)InChI: InChI=1/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1
(3)InChIKey: UVIQSJCZCSLXRZ-UBUQANBQBI

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