6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate
TL;DR: 6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate (CAS 71590-89-1) is a chemical compound with molecular formula C13H12O5 and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyloxy-2,3-dimethyl-1-benzofuran-6-carboxylic acid
Also Known As: 5-18-07-00384 (Beilstein Handbook Reference), 6-BENZOFURANCARBOXYLIC ACID, 2,3-DIMETHYL-5-HYDROXY-, ACETATE, 2,3-Dimethyl-5-hydroxy-6-benzofurancarboxylic acid acetate, 5-(acetyloxy)-2,3-dimethyl-1-benzofuran-6-carboxylic acid, 2,3-Dimethyl-5-acetyloxy-6-benzofurancarboxylic acid
| Molecular Formula | C13H12O5 |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06847 |
| Heavy Atoms | 18 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 71590-89-1 |
|---|---|
| SMILES | CC1=C(OC2=CC(=C(C=C12)OC(=O)C)C(=O)O)C |
| InChIKey | FFHJYGXUEYWDNO-UHFFFAOYSA-N |
Product Overview
6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate (CAS 71590-89-1), with molecular formula C13H12O5 and molecular weight 248.07 g/mol. IUPAC: 5-acetyloxy-2,3-dimethyl-1-benzofuran-6-carboxylic acid.
Chemical Property Profile of 6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate
Property Insights of 6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate. Following Lipinski's Rule of Five, 6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate has 1 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-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate?
The CAS number of 6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate is 71590-89-1.
What is the molecular formula of 6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate?
The molecular formula of 6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate is C13H12O5.
What is the molecular weight of 6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate?
The molecular weight of 6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate is 248.07 g/mol.
Where can I buy 6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate?
You can request a quote for 6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzofurancarboxylic acid, 2,3-dimethyl-5-hydroxy-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.