苯并呋喃-2-甲酸
TL;DR: 苯并呋喃-2-甲酸 (CAS 496-41-3) 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.
苯并呋喃-2-甲酸
1-benzofuran-2-carboxylic acid
Also Known As: Benzofuran-2-carboxylic acid, Coumarilic acid, 1-Benzofuran-2-carboxylic acid, 2-Carboxybenzofuran, 2-BENZOFURANCARBOXYLIC ACID
| Molecular Formula | C9H6O3 |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 2.4 |
| 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 | 496-41-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(=O)O |
| InChIKey | OFFSPAZVIVZPHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯并呋喃-2-甲酸 (CAS 496-41-3), with molecular formula C9H6O3 and molecular weight 162.03 g/mol. IUPAC: 1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 苯并呋喃-2-甲酸
Property Insights of 苯并呋喃-2-甲酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯并呋喃-2-甲酸. With a topological polar surface area (TPSA) of 50.4 Ų, 苯并呋喃-2-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯并呋喃-2-甲酸 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 苯并呋喃-2-甲酸?
The CAS number of 苯并呋喃-2-甲酸 is 496-41-3.
What is the molecular formula of 苯并呋喃-2-甲酸?
The molecular formula of 苯并呋喃-2-甲酸 is C9H6O3.
What is the molecular weight of 苯并呋喃-2-甲酸?
The molecular weight of 苯并呋喃-2-甲酸 is 162.03 g/mol.
Where can I buy 苯并呋喃-2-甲酸?
You can request a quote for 苯并呋喃-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯并呋喃-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 苯并呋喃-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.