≥95.0%(HPLC) , 479-13-0

Synonym(s):
7,12-Dihydroxycoumestan

CAS NO.：479-13-0

Empirical Formula: C15H8O5

Molecular Weight: 268.22

MDL number: MFCD00016885

EINECS: 207-525-6

PRODUCT Properties

• Melting point: ≥350 °C(lit.)
• Boiling point: 331.39°C (rough estimate)
• Density: 1.2586 (rough estimate)
• refractive index: 1.7680 (estimate)
• storage temp.: Refrigerator
• solubility: DMSO: soluble
• form: Light beige solid.
• pka: 8.25±0.20(Predicted)
• color: Pale Yellow to Dark Brown
• BRN: 266702
• InChI: InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
• InChIKey: ZZIALNLLNHEQPJ-UHFFFAOYSA-N
• SMILES: C1(=O)OC2=CC(O)=CC=C2C2OC3=CC(O)=CC=C3C1=2
• LogP: 2.940 (est)
• CAS DataBase Reference: 479-13-0(CAS DataBase Reference)
• EPA Substance Registry System: Coumestrol (479-13-0)

Description and Uses

Coumestrol is a phytoestrogen that occurs naturally in soybeans, spinach, and clover. It competitively (vs. 17β-estradiol, ) binds the estrogen receptors ERα (IC₅₀ = 11 nM) and ERβ (IC₅₀ = 2 nM) and can induce ER-dependent gene expression in isolated cells. Coumestrol is also a weak antagonist of pregnane X receptor (IC₅₀ = 12 μM) as well as a potential inverse agonist of the constitutive androstane receptor (EC₅₀ = 30 μM).

This compound has estrogenic activity. It exhibits bright blue fluorescence in neutral or acid solution, and greenish-yellow fluorescence in strong alkali solution.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
• Hazard Codes: Xn
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• RTECS: DF8077000
• F: 10