7,12-Diacetoxycoumestane
TL;DR: 7,12-Diacetoxycoumestane (CAS 35826-57-4) is a chemical compound with molecular formula C19H12O7 and molecular weight 352.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyloxy-6-oxo-[1]benzofuro[3,2-c]chromen-9-yl) acetate
Also Known As: Coumestrol diacetate, 7,12-Diacetoxycoumestane, O,O'-Diacetylcoumestrol, 7,12-Diacetoxycoumestan, 3,9-Diacetoxy-6H-benzofuro[3,2-c][1]benzopyran-6-one
| Molecular Formula | C19H12O7 |
|---|---|
| Molecular Weight | 352.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.0583 |
| Heavy Atoms | 26 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 35826-57-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C(C=C4)OC(=O)C)OC3=O |
| InChIKey | AHOLUZZXIVWXQQ-UHFFFAOYSA-N |
Product Overview
7,12-Diacetoxycoumestane (CAS 35826-57-4), with molecular formula C19H12O7 and molecular weight 352.06 g/mol. IUPAC: (3-acetyloxy-6-oxo-[1]benzofuro[3,2-c]chromen-9-yl) acetate.
Chemical Property Profile of 7,12-Diacetoxycoumestane
Property Insights of 7,12-Diacetoxycoumestane
The XLogP value of 3.0 indicates that 7,12-Diacetoxycoumestane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,12-Diacetoxycoumestane. Following Lipinski's Rule of Five, 7,12-Diacetoxycoumestane has 0 hydrogen bond donor(s) and 7 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 7,12-Diacetoxycoumestane?
The CAS number of 7,12-Diacetoxycoumestane is 35826-57-4.
What is the molecular formula of 7,12-Diacetoxycoumestane?
The molecular formula of 7,12-Diacetoxycoumestane is C19H12O7.
What is the molecular weight of 7,12-Diacetoxycoumestane?
The molecular weight of 7,12-Diacetoxycoumestane is 352.06 g/mol.
Where can I buy 7,12-Diacetoxycoumestane?
You can request a quote for 7,12-Diacetoxycoumestane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,12-Diacetoxycoumestane?
Yes, KEHONG BIO provides custom synthesis services for 7,12-Diacetoxycoumestane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.