![4-{[Chloro(phenyl)acetyl]amino}benzoic acid structure](/static/products/1069/106961-85-7.webp)
4-{[Chloro(phenyl)acetyl]amino}benzoic acid
TL;DR: 4-{[Chloro(phenyl)acetyl]amino}benzoic acid (CAS 106961-85-7) is a chemical compound with molecular formula C15H12ClNO3 and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chloro-2-phenylacetyl)amino]benzoic acid
Also Known As: 4-{[chloro(phenyl)acetyl]amino}benzoic acid, 4-[(2-chloro-2-phenylacetyl)amino]benzoic acid, 4-(2-CHLORO-2-PHENYLACETAMIDO)BENZOIC ACID
| Molecular Formula | C15H12ClNO3 |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.05057 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 106961-85-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)C(=O)O)Cl |
| InChIKey | WULOLGDOASVNEX-UHFFFAOYSA-N |
Product Overview
4-{[Chloro(phenyl)acetyl]amino}benzoic acid (CAS 106961-85-7), with molecular formula C15H12ClNO3 and molecular weight 289.05 g/mol. IUPAC: 4-[(2-chloro-2-phenylacetyl)amino]benzoic acid.
Chemical Property Profile of 4-{[Chloro(phenyl)acetyl]amino}benzoic acid
Property Insights of 4-{[Chloro(phenyl)acetyl]amino}benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[Chloro(phenyl)acetyl]amino}benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[Chloro(phenyl)acetyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[Chloro(phenyl)acetyl]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 4-{[Chloro(phenyl)acetyl]amino}benzoic acid?
The CAS number of 4-{[Chloro(phenyl)acetyl]amino}benzoic acid is 106961-85-7.
What is the molecular formula of 4-{[Chloro(phenyl)acetyl]amino}benzoic acid?
The molecular formula of 4-{[Chloro(phenyl)acetyl]amino}benzoic acid is C15H12ClNO3.
What is the molecular weight of 4-{[Chloro(phenyl)acetyl]amino}benzoic acid?
The molecular weight of 4-{[Chloro(phenyl)acetyl]amino}benzoic acid is 289.05 g/mol.
Where can I buy 4-{[Chloro(phenyl)acetyl]amino}benzoic acid?
You can request a quote for 4-{[Chloro(phenyl)acetyl]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-{[Chloro(phenyl)acetyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[Chloro(phenyl)acetyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.