Ethyl2-((chloroacetyl)amino)benzoate
TL;DR: Ethyl2-((chloroacetyl)amino)benzoate (CAS 26226-72-2) is a chemical compound with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloroacetyl)amino]benzoate
Also Known As: ethyl 2-[(chloroacetyl)amino]benzoate, Ethyl 2-(2-chloroacetamido)benzoate, ethyl 2-[(2-chloroacetyl)amino]benzoate, Ethyl2-[(chloroacetyl)amino]benzoate, 2-(2-Chloro-acetylamino)-benzoic acid ethyl ester
| Molecular Formula | C11H12ClNO3 |
|---|---|
| Molecular Weight | 241.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.05057 |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 26226-72-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)CCl |
| InChIKey | XTGWPJKSHKMRJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl2-((chloroacetyl)amino)benzoate (CAS 26226-72-2), with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol. IUPAC: ethyl 2-[(2-chloroacetyl)amino]benzoate.
Chemical Property Profile of Ethyl2-((chloroacetyl)amino)benzoate
Property Insights of Ethyl2-((chloroacetyl)amino)benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl2-((chloroacetyl)amino)benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl2-((chloroacetyl)amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl2-((chloroacetyl)amino)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 Ethyl2-((chloroacetyl)amino)benzoate?
The CAS number of Ethyl2-((chloroacetyl)amino)benzoate is 26226-72-2.
What is the molecular formula of Ethyl2-((chloroacetyl)amino)benzoate?
The molecular formula of Ethyl2-((chloroacetyl)amino)benzoate is C11H12ClNO3.
What is the molecular weight of Ethyl2-((chloroacetyl)amino)benzoate?
The molecular weight of Ethyl2-((chloroacetyl)amino)benzoate is 241.05 g/mol.
Where can I buy Ethyl2-((chloroacetyl)amino)benzoate?
You can request a quote for Ethyl2-((chloroacetyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl2-((chloroacetyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl2-((chloroacetyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.