![4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid structure](/static/products/6965/6965-96-4.webp)
4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid
TL;DR: 4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid (CAS 6965-96-4) is a chemical compound with molecular formula C10H8ClNO3 and molecular weight 225.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chloro-3-oxoprop-1-enyl)amino]benzoic acid
Also Known As: 4-[(2-chloro-3-oxoprop-1-enyl)amino]benzoic acid, 4-[(2-chloro-3-oxoprop-1-en-1-yl)amino]benzoic acid, 4-[[(E)-2-chloro-3-oxoprop-1-enyl]amino]benzoic acid
| Molecular Formula | C10H8ClNO3 |
|---|---|
| Molecular Weight | 225.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.01927 |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 6965-96-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC=C(C=O)Cl |
| InChIKey | AGFUQBOGCOWSKN-UHFFFAOYSA-N |
Product Overview
4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid (CAS 6965-96-4), with molecular formula C10H8ClNO3 and molecular weight 225.02 g/mol. IUPAC: 4-[(2-chloro-3-oxoprop-1-enyl)amino]benzoic acid.
Chemical Property Profile of 4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid
Property Insights of 4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic 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 4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid?
The CAS number of 4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid is 6965-96-4.
What is the molecular formula of 4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid?
The molecular formula of 4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid is C10H8ClNO3.
What is the molecular weight of 4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid?
The molecular weight of 4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid is 225.02 g/mol.
Where can I buy 4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid?
You can request a quote for 4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Chloro-3-oxoprop-1-enyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.