5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid
TL;DR: 5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid (CAS 61389-11-5) is a chemical compound with molecular formula C10H8ClNO5 and molecular weight 257.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chloroacetyl)amino]benzene-1,3-dicarboxylic acid
Also Known As: 5-(2-chloroacetamido)benzene-1,3-dicarboxylic acid, 5-[(chloroacetyl)amino]isophthalic acid, 5-[(2-chloroacetyl)amino]benzene-1,3-dicarboxylic Acid, N-Chloroacetyl-5-aminoisophthalic acid, 3,5-dicarboxyphenyl chloroacetamide
| Molecular Formula | C10H8ClNO5 |
|---|---|
| Molecular Weight | 257.01 g/mol |
| LogP | 1.2603 |
| Topological Polar Surface Area | 103.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.0091 |
| Heavy Atoms | 17 |
| Complexity | 453.33466 |
Chemical Identifiers
| CAS Number | 61389-11-5 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=O)O)NC(=O)CCl)C(=O)O |
Product Overview
5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid (CAS 61389-11-5), with molecular formula C10H8ClNO5 and molecular weight 257.01 g/mol. IUPAC: 5-[(2-chloroacetyl)amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid
Property Insights of 5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid
The XLogP value of 1.2603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid. The TPSA of 103.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid has 3 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 5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid?
The CAS number of 5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid is 61389-11-5.
What is the molecular formula of 5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid?
The molecular formula of 5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid is C10H8ClNO5.
What is the molecular weight of 5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid?
The molecular weight of 5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid is 257.01 g/mol.
Where can I buy 5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid?
You can request a quote for 5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Chloroacetamido)benzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.