3-Acetamido-5-chloro-2-benzofurancarboxylic acid
TL;DR: 3-Acetamido-5-chloro-2-benzofurancarboxylic acid (CAS 330555-72-1) is a chemical compound with molecular formula C11H8ClNO4 and molecular weight 253.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-5-chloro-1-benzofuran-2-carboxylic acid
Also Known As: 3-acetamido-5-chloro-2-benzofurancarboxylic acid, 3-acetamido-5-chloro-1-benzofuran-2-carboxylic acid, BAS 01507272, 3-(Acetylamino)-5-chloro-2-benzofurancarboxylic acid, 3-Acetylamino-5-chloro-benzofuran-2-carboxylic acid
| Molecular Formula | C11H8ClNO4 |
|---|---|
| Molecular Weight | 253.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.01419 |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 330555-72-1 |
|---|---|
| SMILES | CC(=O)NC1=C(OC2=C1C=C(C=C2)Cl)C(=O)O |
| InChIKey | WDSQIXUDTWCQJO-UHFFFAOYSA-N |
Product Overview
3-Acetamido-5-chloro-2-benzofurancarboxylic acid (CAS 330555-72-1), with molecular formula C11H8ClNO4 and molecular weight 253.01 g/mol. IUPAC: 3-acetamido-5-chloro-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 3-Acetamido-5-chloro-2-benzofurancarboxylic acid
Property Insights of 3-Acetamido-5-chloro-2-benzofurancarboxylic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetamido-5-chloro-2-benzofurancarboxylic acid. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetamido-5-chloro-2-benzofurancarboxylic acid. Following Lipinski's Rule of Five, 3-Acetamido-5-chloro-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-Acetamido-5-chloro-2-benzofurancarboxylic acid?
The CAS number of 3-Acetamido-5-chloro-2-benzofurancarboxylic acid is 330555-72-1.
What is the molecular formula of 3-Acetamido-5-chloro-2-benzofurancarboxylic acid?
The molecular formula of 3-Acetamido-5-chloro-2-benzofurancarboxylic acid is C11H8ClNO4.
What is the molecular weight of 3-Acetamido-5-chloro-2-benzofurancarboxylic acid?
The molecular weight of 3-Acetamido-5-chloro-2-benzofurancarboxylic acid is 253.01 g/mol.
Where can I buy 3-Acetamido-5-chloro-2-benzofurancarboxylic acid?
You can request a quote for 3-Acetamido-5-chloro-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-Acetamido-5-chloro-2-benzofurancarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetamido-5-chloro-2-benzofurancarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.