3-(Acetylamino)-2-benzofurancarboxylic acid
TL;DR: 3-(Acetylamino)-2-benzofurancarboxylic acid (CAS 54802-13-0) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-1-benzofuran-2-carboxylic acid
Also Known As: 3-Acetylamino-benzofuran-2-carboxylic acid, 3-acetamido-1-benzofuran-2-carboxylic acid, 3-acetylaminobenzofuran-2-carboxylic, 3-(acetylamino)-2-benzofurancarboxylic acid, RefChem:275029
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 54802-13-0 |
|---|---|
| SMILES | CC(=O)NC1=C(OC2=CC=CC=C21)C(=O)O |
| InChIKey | DQAIPQYBAJTEBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Acetylamino)-2-benzofurancarboxylic acid (CAS 54802-13-0), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: 3-acetamido-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 3-(Acetylamino)-2-benzofurancarboxylic acid
Property Insights of 3-(Acetylamino)-2-benzofurancarboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Acetylamino)-2-benzofurancarboxylic acid. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Acetylamino)-2-benzofurancarboxylic acid. Following Lipinski's Rule of Five, 3-(Acetylamino)-2-benzofurancarboxylic acid has 2 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 3-(Acetylamino)-2-benzofurancarboxylic acid?
The CAS number of 3-(Acetylamino)-2-benzofurancarboxylic acid is 54802-13-0.
What is the molecular formula of 3-(Acetylamino)-2-benzofurancarboxylic acid?
The molecular formula of 3-(Acetylamino)-2-benzofurancarboxylic acid is C11H9NO4.
What is the molecular weight of 3-(Acetylamino)-2-benzofurancarboxylic acid?
The molecular weight of 3-(Acetylamino)-2-benzofurancarboxylic acid is 219.05 g/mol.
Where can I buy 3-(Acetylamino)-2-benzofurancarboxylic acid?
You can request a quote for 3-(Acetylamino)-2-benzofurancarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Acetylamino)-2-benzofurancarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetylamino)-2-benzofurancarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.