3-Hydroxy-8,9-dimethoxycoumestan
TL;DR: 3-Hydroxy-8,9-dimethoxycoumestan (CAS 5252-40-4) is a chemical compound with molecular formula C17H12O6 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-8,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
Also Known As: 3-Hydroxy-8,9-dimethoxycoumestan, alpha-Ethyl-3-nitrocinnamic acid, 7-Hydroxy-11,12-dimethoxycoumestan, 7-Hydroxy-11,12-dimethoxycoumestan (obsol.), 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3-hydroxy-8,9-dimethoxy-
| Molecular Formula | C17H12O6 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 3.4152 |
| Topological Polar Surface Area | 82.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.0634 |
| Heavy Atoms | 23 |
| Complexity | 1118.9904 |
Chemical Identifiers
| CAS Number | 5252-40-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O)OC |
Product Overview
3-Hydroxy-8,9-dimethoxycoumestan (CAS 5252-40-4), with molecular formula C17H12O6 and molecular weight 312.06 g/mol. IUPAC: 3-hydroxy-8,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one.
Chemical Property Profile of 3-Hydroxy-8,9-dimethoxycoumestan
Property Insights of 3-Hydroxy-8,9-dimethoxycoumestan
The XLogP value of 3.4152 indicates that 3-Hydroxy-8,9-dimethoxycoumestan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-8,9-dimethoxycoumestan. Following Lipinski's Rule of Five, 3-Hydroxy-8,9-dimethoxycoumestan has 1 hydrogen bond donor(s) and 6 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 3-Hydroxy-8,9-dimethoxycoumestan?
The CAS number of 3-Hydroxy-8,9-dimethoxycoumestan is 5252-40-4.
What is the molecular formula of 3-Hydroxy-8,9-dimethoxycoumestan?
The molecular formula of 3-Hydroxy-8,9-dimethoxycoumestan is C17H12O6.
What is the molecular weight of 3-Hydroxy-8,9-dimethoxycoumestan?
The molecular weight of 3-Hydroxy-8,9-dimethoxycoumestan is 312.06 g/mol.
Where can I buy 3-Hydroxy-8,9-dimethoxycoumestan?
You can request a quote for 3-Hydroxy-8,9-dimethoxycoumestan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-8,9-dimethoxycoumestan?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-8,9-dimethoxycoumestan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.