3-(2-Chloroacetamido)benzoate
TL;DR: 3-(2-Chloroacetamido)benzoate (CAS 28547-08-2) is a chemical compound with molecular formula C9H7ClNO3- and molecular weight 212.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloroacetyl)amino]benzoate
Also Known As: 3-[(2-chloroacetyl)amino]benzoate, 3-(2-CHLOROACETAMIDO)BENZOATE, N-(3-Carboxyphenyl)-2-chloroethanimidate
| Molecular Formula | C9H7ClNO3- |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 0.2274 |
| Topological Polar Surface Area | 69.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.01144 |
| Heavy Atoms | 14 |
| Complexity | 364.82962 |
Chemical Identifiers
| CAS Number | 28547-08-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CCl)C(=O)[O-] |
Product Overview
3-(2-Chloroacetamido)benzoate (CAS 28547-08-2), with molecular formula C9H7ClNO3- and molecular weight 212.01 g/mol. IUPAC: 3-[(2-chloroacetyl)amino]benzoate.
Chemical Property Profile of 3-(2-Chloroacetamido)benzoate
Property Insights of 3-(2-Chloroacetamido)benzoate
The XLogP value of 0.2274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chloroacetamido)benzoate. The TPSA of 69.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chloroacetamido)benzoate. Following Lipinski's Rule of Five, 3-(2-Chloroacetamido)benzoate has 1 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 3-(2-Chloroacetamido)benzoate?
The CAS number of 3-(2-Chloroacetamido)benzoate is 28547-08-2.
What is the molecular formula of 3-(2-Chloroacetamido)benzoate?
The molecular formula of 3-(2-Chloroacetamido)benzoate is C9H7ClNO3-.
What is the molecular weight of 3-(2-Chloroacetamido)benzoate?
The molecular weight of 3-(2-Chloroacetamido)benzoate is 212.01 g/mol.
Where can I buy 3-(2-Chloroacetamido)benzoate?
You can request a quote for 3-(2-Chloroacetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chloroacetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloroacetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.