7,11,12-Triacetoxycoumestan
TL;DR: 7,11,12-Triacetoxycoumestan (CAS 2074-56-8) is a chemical compound with molecular formula C21H14O9 and molecular weight 410.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8,9-diacetyloxy-6-oxo-[1]benzofuro[3,2-c]chromen-3-yl) acetate
Also Known As: Stimol 410, 7,11,12-Triacetoxycoumestan, BAS 00654779, BIM-0025171.P001, 3,8,9-Tris -6H-benzofuro[3,2-c][1]benzopyran-6-one
| Molecular Formula | C21H14O9 |
|---|---|
| Molecular Weight | 410.06 g/mol |
| LogP | 3.4683 |
| Topological Polar Surface Area | 122.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.06378 |
| Heavy Atoms | 30 |
| Complexity | 1421.7274 |
Chemical Identifiers
| CAS Number | 2074-56-8 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C3=C(C4=CC(=C(C=C4O3)OC(=O)C)OC(=O)C)C(=O)O2 |
Product Overview
7,11,12-Triacetoxycoumestan (CAS 2074-56-8), with molecular formula C21H14O9 and molecular weight 410.06 g/mol. IUPAC: (8,9-diacetyloxy-6-oxo-[1]benzofuro[3,2-c]chromen-3-yl) acetate.
Chemical Property Profile of 7,11,12-Triacetoxycoumestan
Property Insights of 7,11,12-Triacetoxycoumestan
The XLogP value of 3.4683 indicates that 7,11,12-Triacetoxycoumestan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,11,12-Triacetoxycoumestan. Following Lipinski's Rule of Five, 7,11,12-Triacetoxycoumestan has 0 hydrogen bond donor(s) and 9 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 7,11,12-Triacetoxycoumestan?
The CAS number of 7,11,12-Triacetoxycoumestan is 2074-56-8.
What is the molecular formula of 7,11,12-Triacetoxycoumestan?
The molecular formula of 7,11,12-Triacetoxycoumestan is C21H14O9.
What is the molecular weight of 7,11,12-Triacetoxycoumestan?
The molecular weight of 7,11,12-Triacetoxycoumestan is 410.06 g/mol.
Where can I buy 7,11,12-Triacetoxycoumestan?
You can request a quote for 7,11,12-Triacetoxycoumestan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,11,12-Triacetoxycoumestan?
Yes, KEHONG BIO provides custom synthesis services for 7,11,12-Triacetoxycoumestan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.