![2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid structure](/static/products/937/937604-82-5.png)
2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid
TL;DR: 2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid (CAS 937604-82-5) is a chemical compound with molecular formula C13H12ClNO3 and molecular weight 265.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-3-oxocyclohexen-1-yl)amino]benzoic acid
Also Known As: 2-[(2-chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid, 2-[(2-chloro-3-oxocyclohexen-1-yl)amino]benzoic acid, 2-((2-Chloro-3-oxocyclohex-1-enyl)amino)benzoic acid, 2-[(2-chloro-3-oxocyclohex-1-enyl)amino]benzoic acid, 2-[(2-chloro-3-oxo-1-cyclohexenyl)amino]benzoic Acid
| Molecular Formula | C13H12ClNO3 |
|---|---|
| Molecular Weight | 265.05 g/mol |
| LogP | 3.0001 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.05057 |
| Heavy Atoms | 18 |
| Complexity | 536.79285 |
Chemical Identifiers
| CAS Number | 937604-82-5 |
|---|---|
| SMILES | C1CC(=C(C(=O)C1)Cl)NC2=CC=CC=C2C(=O)O |
Product Overview
2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid (CAS 937604-82-5), with molecular formula C13H12ClNO3 and molecular weight 265.05 g/mol. IUPAC: 2-[(2-chloro-3-oxocyclohexen-1-yl)amino]benzoic acid.
Chemical Property Profile of 2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid
Property Insights of 2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid
The XLogP value of 3.0001 indicates that 2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid has 2 hydrogen bond donor(s) and 3 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-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid?
The CAS number of 2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid is 937604-82-5.
What is the molecular formula of 2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid?
The molecular formula of 2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid is C13H12ClNO3.
What is the molecular weight of 2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid?
The molecular weight of 2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid is 265.05 g/mol.
Where can I buy 2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid?
You can request a quote for 2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)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 2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chloro-3-oxocyclohex-1-en-1-yl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.