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63042-18-2

Basic Information
CAS No.: 63042-18-2
Name: Estradiol-3-benzoate-17-butyrate
Molecular Structure:
Molecular Structure of 63042-18-2 (Estradiol-3-benzoate-17-butyrate)
Formula: C29H34O4
Molecular Weight: 446.587
Synonyms: B-ESTRADIOL 3-BENZOATE 17-N-BUTYRATE;estra-1,3,5(10)-triene-3,17beta-diol 3-benzoate 17-butyrate;oestradiol benzoate 17-n-butyrate;Estra-1,3,5(10)-triene-3,17b-diol 3-benzoate 17-butyrate;Estradiol-3-benzoate-17-butyrate;Estra-1,3,5(10)-triene-3,17β-diol 3-benzoate 17-butanoate
EINECS: 263-807-9
Density: 1.18 g/cm3
Melting Point: 128.5-129.0 °C
Boiling Point: 558.6 ºC at 760 mmHg
Flash Point: 276.2 ºC
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-40
Safety: 22-36
PSA: 52.60000
LogP: 6.47380
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  • Estradiol-3-benzoate-17-butyrate63042-18-2

  • Casno:

    63042-18-2

    Estradiol-3-benzoate-17-butyrate63042-18-2

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    factory,reasonable price Appearance:detailed see specifications Storage:Store in dry, dark and ventilated place. Package:according to the clients requirement Application:pharmaceutical intermediates Transportation:by courier,air or sea Port:S

    Shanghai Hanhong Chemical Co., Ltd. is a professional enterprise engaged in researching, developing ,manufacturing and exporting unnatural amino acids ,nucleosides,nucleotides ,

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  • Estradiol Benzoate Butyrate

  • Casno:

    63042-18-2

    Estradiol Benzoate Butyrate

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 10.0-10.0

    in stock Assay:99% white powder dentification(HPLC) :The retention time of the major peak in the chromatogram of the assay preparation corresponds to that in the chromatogram of the Conformal standard preparation, as obtained in the ass

    Wuhan Yingyuanbei Biotechnology Co., Ltd. is a high-tech enterprise specializing in R&D and production of pharmaceutical raw materials and intermediates. At present, t

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  • Estradiol Benzoate Butyrate

  • Casno:

    63042-18-2

    Estradiol Benzoate Butyrate

    Min.Order: 0 Metric Ton

    FOB Price:  USD $ 0.0-0.0

    Aopharm is specialized in APIs, pharmaceutical intermediates & fine chemicals. 1. The best quality, competitive price. 2. The best service before or after shipment. 3. Rich experience in export operation. 4. Rich experience in modes of

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Specification

The Estradiol-3-benzoate-17-butyrate with cas registry number of 63042-18-2 is also called Estra-1,3,5(10)-triene-3,17b-diol 3-benzoate 17-butyrate. Its IUPAC name is also called [(8R,9S,13S,14S,17S)-17-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate. It has an EINECS registry number which is 263-807-9.

The physical properties about this chemical are: (1)ACD/LogP: 8.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.2; (4)ACD/LogD (pH 7.4): 8.2; (5)ACD/KOC (pH 5.5): 686099.56; (6)ACD/KOC (pH 7.4): 686099.56; (7)#H bond acceptors: 4; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.59; (11)Molar Refractivity: 127.67 cm3; (12)Molar Volume: 378.1 cm3; (13)Surface Tension: 50 dyne/cm; (14)Density: 1.18 g/cm3; (15)Flash Point: 276.2 °C; (16)Enthalpy of Vaporization: 84.07 kJ/mol; (17)Boiling Point: 558.6 °C at 760 mmHg; (18)Vapour Pressure: 1.64E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It has the limited evidence of a carcinogenic effect. When using it, wear suitable protective clothing and do not breathe dust. After using it, store at the temperature of 2-8°C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C29H34O4/c1-3-7-27(30)33-26-15-14-25-24-12-10-20-18-21(32-28(31)19-8-5-4-6-9-19)11-13-22(20)23(24)16-17-29(25,26)2/h4-6,8-9,11,13,18,23-26H,3,7,10,12,14-17H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1
(2)Smiles: c1cc2c(cc1OC(c1ccccc1)=O)CC[C@@H]1[C@@H]2CC[C@@]2([C@@H](OC(CCC)=O)CC[C@@H]12)C