Coumestrol dimethyl ether
TL;DR: Coumestrol dimethyl ether (CAS 3172-99-4) is a chemical compound with molecular formula C17H12O5 and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
Also Known As: Coumestrol dimethyl ether, Di-O-methylcoumestrol, 3,9-Dimethylcoumestan, 3,9-DI-O-METHYLCOUMESTROL, 7,12-Dimethoxy-coumestan
| Molecular Formula | C17H12O5 |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 3.7096 |
| Topological Polar Surface Area | 61.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.06848 |
| Heavy Atoms | 22 |
| Complexity | 1071.1765 |
Chemical Identifiers
| CAS Number | 3172-99-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C(C=C4)OC)OC3=O |
Product Overview
Coumestrol dimethyl ether (CAS 3172-99-4), with molecular formula C17H12O5 and molecular weight 296.07 g/mol. IUPAC: 3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one.
Chemical Property Profile of Coumestrol dimethyl ether
Property Insights of Coumestrol dimethyl ether
The XLogP value of 3.7096 indicates that Coumestrol dimethyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumestrol dimethyl ether. Following Lipinski's Rule of Five, Coumestrol dimethyl ether has 0 hydrogen bond donor(s) and 5 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 Coumestrol dimethyl ether?
The CAS number of Coumestrol dimethyl ether is 3172-99-4.
What is the molecular formula of Coumestrol dimethyl ether?
The molecular formula of Coumestrol dimethyl ether is C17H12O5.
What is the molecular weight of Coumestrol dimethyl ether?
The molecular weight of Coumestrol dimethyl ether is 296.07 g/mol.
Where can I buy Coumestrol dimethyl ether?
You can request a quote for Coumestrol dimethyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumestrol dimethyl ether?
Yes, KEHONG BIO provides custom synthesis services for Coumestrol dimethyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.