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20575-57-9

Basic Information
CAS No.: 20575-57-9
Name: Calycosin
Article Data: 7
Cas Database
Molecular Structure:
Molecular Structure of 20575-57-9 (Calycosin)
Formula: C16H12O5
Molecular Weight: 284.268
Synonyms: 7-hydroxy-3-(3-hydroxy-4-methoxy-phenyl)chromen-4-one;4H-1-Benzopyran-4-one,7-hydroxy-3-(3- hydroxy-4-methoxyphenyl)-;7,3'-Dihydroxy-4'-methoxyisoflavone;
EINECS: N/A
Density: 1.42g/cm3
Melting Point: 245~247℃
Boiling Point: 536.8 °C at 760 mmHg
Flash Point: 205.7 °C
Solubility: N/A
Appearance: White Powder
Hazard Symbols: T
Risk Codes: 25
Safety: 45
Transport Information: N/A
PSA: 79.90000
LogP: 2.87980
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  • Calycosin

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    20575-57-9

    Calycosin

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    Ansciep Chemical is a professional enterprise manufacturing and distributing fine chemicals and speciality chemicals. We have been dedicated to heterocycle compounds and phenyl rings for tens of years. This is our mature product for export. Our quali

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  • CAS20575-57-9  CALYCOSIN

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    20575-57-9

    CAS20575-57-9 CALYCOSIN

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    Hubei Xinrunde Chemical Co., Ltd. dedicated to the development, production and marketing of chemicals which is specialized in Organic compounds; Active Pharmaceutical Ingredient(s)

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  • Calycosin

  • Casno:

    20575-57-9

    Calycosin

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    Comply with CP,JP,EP,US GradeAppearance:White Solid Storage:Stored under room temperature in cool and dry place Package:In 25KG paper or plastic drums Application:Used as pharmaceutical Intermeidate Transportation:Shipped as non- dangerous chemicals

    Who we are ? Located in Zhengzhou City, China , Henan Daken Chemical Co.,Ltd was Established in June ,1983.We have a 35 years history for fine chemical synthesis .Daken has young

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  • CAS20575-57-9  CALYCOSIN

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    20575-57-9

    CAS20575-57-9 CALYCOSIN

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    We are a trading company aiming at providing high-quality services to customers. Established for many years, with good reputation in the industry Storage:Sealed and preserved Application:Fine chemical intermediates, used as the main raw material for

    Qingdao Belugas Import and Export Co., Ltd. is a scientific and technological company integrating research and development, production and trade of chemical intermediates, speciali

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  • Calycosin cas  20575-57-9

  • Casno:

    20575-57-9

    Calycosin cas 20575-57-9

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    Calycosin cas 20575-57-9Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

    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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Specification

The Calycosin, with CAS registry number 20575-57-9, belongs to the following product categories: (1)Iso-Flavones; (2)The group of Astralosides. It has the systematic name of 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one. And the chemical formula of this chemical is C16H12O5.

Physical properties of Calycosin: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 38.9; (6)ACD/BCF (pH 7.4): 10.62; (7)ACD/KOC (pH 5.5): 473.67; (8)ACD/KOC (pH 7.4): 129.29; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 53.99 Å2; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 74.64 cm3; (15)Molar Volume: 200.1 cm3; (16)Polarizability: 29.59×10-24cm3; (17)Surface Tension: 63.4 dyne/cm; (18)Enthalpy of Vaporization: 84.4 kJ/mol; (19)Vapour Pressure: 3.9E-12 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,4-dihydroxyphenyl 3'-hydroxy-4-methoxybenzyl ketone and triethoxymethane. This reaction will need reagent piperidine and solvent dimethylformamide. The reaction time is 1 hour(s). The yield is about 62%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(O/C=C/1c2ccc(OC)c(O)c2)cc(O)cc3
(2)InChI: InChI=1/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3
(3)InChIKey: ZZAJQOPSWWVMBI-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3
(5)Std. InChIKey: ZZAJQOPSWWVMBI-UHFFFAOYSA-N