雌马酚
TL;DR: 雌马酚 (CAS 531-95-3) is a chemical compound with molecular formula C15H14O3 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
雌马酚
(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Also Known As: Equol, (S)-Equol, S-Equol, (-)-(S)-Equol, (S)-3-(4-Hydroxyphenyl)chroman-7-ol
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
| Melting Point | 189.5 °C |
Chemical Identifiers
| CAS Number | 531-95-3 |
|---|---|
| SMILES | C1[C@H](COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O |
| InChIKey | ADFCQWZHKCXPAJ-GFCCVEGCSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
雌马酚 (CAS 531-95-3), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: (3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
Chemical Property Profile of 雌马酚
Property Insights of 雌马酚
The XLogP value of 3.0 indicates that 雌马酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 雌马酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 雌马酚 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 雌马酚?
The CAS number of 雌马酚 is 531-95-3.
What is the molecular formula of 雌马酚?
The molecular formula of 雌马酚 is C15H14O3.
What is the molecular weight of 雌马酚?
The molecular weight of 雌马酚 is 242.09 g/mol.
Where can I buy 雌马酚?
You can request a quote for 雌马酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 雌马酚?
Yes, KEHONG BIO provides custom synthesis services for 雌马酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.