Benzofuran-2-carboxylic acid
TL;DR: Benzofuran-2-carboxylic acid (CAS 496-41-3) is a chemical compound with molecular formula C9H6O3 and molecular weight 162.0317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzofuran-2-carboxylic acid
Also Known As: Benzofuran-2-carboxylic acid, Coumarilic acid, 1-Benzofuran-2-carboxylic acid, 2-Carboxybenzofuran, 2-BENZOFURANCARBOXYLIC ACID
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H6O3 |
| Molecular Weight | 162.0317 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.0317 Da |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(=O)O |
| InChIKey | OFFSPAZVIVZPHU-UHFFFAOYSA-N |
Product Description
Applications: Benzofuran-2-carboxylic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, Benzofuran-2-carboxylic acid (CAS 496-41-3) has the molecular formula C9H6O3 and a molecular weight of 162.03 g/mol. Synonyms include Benzofuran-2-carboxylic acid and Coumarilic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzofuran-2-carboxylic acid
Property Insights of Benzofuran-2-carboxylic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzofuran-2-carboxylic acid. With a topological polar surface area (TPSA) of 50.4 Ų, Benzofuran-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzofuran-2-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
What is the CAS number of Benzofuran-2-carboxylic acid?
The CAS number of Benzofuran-2-carboxylic acid is 496-41-3.
What is the molecular formula of Benzofuran-2-carboxylic acid?
The molecular formula of Benzofuran-2-carboxylic acid is C9H6O3.
What is the molecular weight of Benzofuran-2-carboxylic acid?
The molecular weight of Benzofuran-2-carboxylic acid is 162.0317 g/mol.
What are the applications of Benzofuran-2-carboxylic acid?
Benzofuran-2-carboxylic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Benzofuran-2-carboxylic acid?
You can request a quote for Benzofuran-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzofuran-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for Benzofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.