![2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid structure](/static/products/2975/2975-71-5.webp)
2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid
TL;DR: 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid (CAS 2975-71-5) is a chemical compound with molecular formula C16H12O4 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-oxo-1H-2-benzofuran-1-yl)methyl]benzoic acid
Also Known As: 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid, 3-(2-carboxybenzyl)-2-benzofuran-1(3h)-one, 2-[(3-oxo-1H-2-benzofuran-1-yl)methyl]benzoic acid, Benzoic acid,2-[(1,3-dihydro-3-oxo-1-isobenzofuranyl)methyl]-, 2-(3-Oxo-1,3-dihydroisobenzofuran-1-ylmethyl)benzoic acid
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.07355 |
| Heavy Atoms | 20 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 2975-71-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC2C3=CC=CC=C3C(=O)O2)C(=O)O |
| InChIKey | QTJSKUCNPMCNDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid (CAS 2975-71-5), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: 2-[(3-oxo-1H-2-benzofuran-1-yl)methyl]benzoic acid.
Chemical Property Profile of 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid
Property Insights of 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid has 1 hydrogen bond donor(s) and 4 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 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid?
The CAS number of 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid is 2975-71-5.
What is the molecular formula of 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid?
The molecular formula of 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid is C16H12O4.
What is the molecular weight of 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid?
The molecular weight of 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid is 268.07 g/mol.
Where can I buy 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid?
You can request a quote for 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.