1-Benzofuran-3-carboxylic acid
TL;DR: 1-Benzofuran-3-carboxylic acid (CAS 26537-68-8) is a chemical compound with molecular formula C9H6O3 and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzofuran-3-carboxylic acid
Also Known As: Benzofuran-3-carboxylic acid, 1-Benzofuran-3-carboxylic acid, 3-Benzofurancarboxylic acid, 3-Carboxybenzo[b]furan, 3-benzofurancarboxylic
| Molecular Formula | C9H6O3 |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.0317 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 26537-68-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CO2)C(=O)O |
| InChIKey | BENJFDPHDCGUAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzofuran-3-carboxylic acid (CAS 26537-68-8), with molecular formula C9H6O3 and molecular weight 162.03 g/mol. IUPAC: 1-benzofuran-3-carboxylic acid.
Chemical Property Profile of 1-Benzofuran-3-carboxylic acid
Property Insights of 1-Benzofuran-3-carboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzofuran-3-carboxylic acid. With a topological polar surface area (TPSA) of 50.4 Ų, 1-Benzofuran-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzofuran-3-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 1-Benzofuran-3-carboxylic acid?
The CAS number of 1-Benzofuran-3-carboxylic acid is 26537-68-8.
What is the molecular formula of 1-Benzofuran-3-carboxylic acid?
The molecular formula of 1-Benzofuran-3-carboxylic acid is C9H6O3.
What is the molecular weight of 1-Benzofuran-3-carboxylic acid?
The molecular weight of 1-Benzofuran-3-carboxylic acid is 162.03 g/mol.
Where can I buy 1-Benzofuran-3-carboxylic acid?
You can request a quote for 1-Benzofuran-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzofuran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzofuran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.