3,6,7-Benzofurantriol, 3,6,7-triacetate
TL;DR: 3,6,7-Benzofurantriol, 3,6,7-triacetate (CAS 68123-31-9) is a chemical compound with molecular formula C14H12O7 and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,7-diacetyloxy-1-benzofuran-6-yl) acetate
Also Known As: 3,6,7-Benzofurantriol, triacetate, 3,6,7-Triacetoxycoumarone, 3,6,7-Benzofurantriol, 3,6,7-triacetate, Benzofuran-3,6,7-triyltriacetate, Benzofuran-3,6,7-triol triacetate
| Molecular Formula | C14H12O7 |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.0583 |
| Heavy Atoms | 21 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 68123-31-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C2=C(C=C1)C(=CO2)OC(=O)C)OC(=O)C |
| InChIKey | YHHAGKFFIBSYDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6,7-Benzofurantriol, 3,6,7-triacetate (CAS 68123-31-9), with molecular formula C14H12O7 and molecular weight 292.06 g/mol. IUPAC: (3,7-diacetyloxy-1-benzofuran-6-yl) acetate.
Chemical Property Profile of 3,6,7-Benzofurantriol, 3,6,7-triacetate
Property Insights of 3,6,7-Benzofurantriol, 3,6,7-triacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6,7-Benzofurantriol, 3,6,7-triacetate. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6,7-Benzofurantriol, 3,6,7-triacetate. Following Lipinski's Rule of Five, 3,6,7-Benzofurantriol, 3,6,7-triacetate 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 3,6,7-Benzofurantriol, 3,6,7-triacetate?
The CAS number of 3,6,7-Benzofurantriol, 3,6,7-triacetate is 68123-31-9.
What is the molecular formula of 3,6,7-Benzofurantriol, 3,6,7-triacetate?
The molecular formula of 3,6,7-Benzofurantriol, 3,6,7-triacetate is C14H12O7.
What is the molecular weight of 3,6,7-Benzofurantriol, 3,6,7-triacetate?
The molecular weight of 3,6,7-Benzofurantriol, 3,6,7-triacetate is 292.06 g/mol.
Where can I buy 3,6,7-Benzofurantriol, 3,6,7-triacetate?
You can request a quote for 3,6,7-Benzofurantriol, 3,6,7-triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,7-Benzofurantriol, 3,6,7-triacetate?
Yes, KEHONG BIO provides custom synthesis services for 3,6,7-Benzofurantriol, 3,6,7-triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.