6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate
TL;DR: 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate (CAS 68123-32-0) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-acetyloxy-2,3-dihydro-1-benzofuran-6-yl) acetate
Also Known As: 6,7-Diacetoxy-2,3-dihydrobenzofuran, 2,3-Dihydrobenzofuran-6,7-diol diacetate, 6,7-diacetoxy-2,3-dihydro-benzofuran, 6,7-Benzofurandiol, 2,3-dihydro-, diacetate, 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 68123-32-0 |
|---|---|
| SMILES | CC(=O)OC1=C(C2=C(CCO2)C=C1)OC(=O)C |
| InChIKey | CQKXMCFHRBEEAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate (CAS 68123-32-0), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: (7-acetyloxy-2,3-dihydro-1-benzofuran-6-yl) acetate.
Chemical Property Profile of 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate
Property Insights of 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate. Following Lipinski's Rule of Five, 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate 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 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate?
The CAS number of 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate is 68123-32-0.
What is the molecular formula of 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate?
The molecular formula of 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate is C12H12O5.
What is the molecular weight of 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate?
The molecular weight of 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate is 236.07 g/mol.
Where can I buy 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate?
You can request a quote for 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Benzofurandiol, 2,3-dihydro-, 6,7-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.