4-Chloro-3-(2-chloroacetamido)benzoic acid
TL;DR: 4-Chloro-3-(2-chloroacetamido)benzoic acid (CAS 147149-56-2) is a chemical compound with molecular formula C9H7Cl2NO3 and molecular weight 246.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[(2-chloroacetyl)amino]benzoic acid
Also Known As: 4-chloro-3-(2-chloroacetamido)benzoic acid, Nintedanib Impurity 70, Nintedanib Impurity 172, 4-chloro-3-[(2-chloroacetyl)amino]benzoic Acid, 4-chloro-3-[(chloroacetyl)amino]benzoic acid
| Molecular Formula | C9H7Cl2NO3 |
|---|---|
| Molecular Weight | 246.98 g/mol |
| LogP | 2.2155 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.9803 |
| Heavy Atoms | 15 |
| Complexity | 406.34396 |
Chemical Identifiers
| CAS Number | 147149-56-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)NC(=O)CCl)Cl |
Product Overview
4-Chloro-3-(2-chloroacetamido)benzoic acid (CAS 147149-56-2), with molecular formula C9H7Cl2NO3 and molecular weight 246.98 g/mol. IUPAC: 4-chloro-3-[(2-chloroacetyl)amino]benzoic acid.
Chemical Property Profile of 4-Chloro-3-(2-chloroacetamido)benzoic acid
Property Insights of 4-Chloro-3-(2-chloroacetamido)benzoic acid
The XLogP value of 2.2155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-(2-chloroacetamido)benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-(2-chloroacetamido)benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-(2-chloroacetamido)benzoic acid has 2 hydrogen bond donor(s) and 2 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-3-(2-chloroacetamido)benzoic acid?
The CAS number of 4-Chloro-3-(2-chloroacetamido)benzoic acid is 147149-56-2.
What is the molecular formula of 4-Chloro-3-(2-chloroacetamido)benzoic acid?
The molecular formula of 4-Chloro-3-(2-chloroacetamido)benzoic acid is C9H7Cl2NO3.
What is the molecular weight of 4-Chloro-3-(2-chloroacetamido)benzoic acid?
The molecular weight of 4-Chloro-3-(2-chloroacetamido)benzoic acid is 246.98 g/mol.
Where can I buy 4-Chloro-3-(2-chloroacetamido)benzoic acid?
You can request a quote for 4-Chloro-3-(2-chloroacetamido)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-3-(2-chloroacetamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-(2-chloroacetamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.