![4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester structure](/static/products/3792/379255-44-4.webp)
4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester
TL;DR: 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester (CAS 379255-44-4) 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.
methyl 4-[[(2-chloroacetyl)amino]methyl]benzoate
Also Known As: methyl 4-[(2-chloroacetamido)methyl]benzoate, 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester, methyl 4-[[(2-chloroacetyl)amino]methyl]benzoate, Methyl 4-(2-Chloroacetamido)methylbenzoate, methyl4-[(2-chloroacetamido)methyl]benzoate
| Molecular Formula | C11H12ClNO3 |
|---|---|
| Molecular Weight | 241.05 g/mol |
| LogP | 1.3282 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.05057 |
| Heavy Atoms | 16 |
| Complexity | 375.32098 |
Chemical Identifiers
| CAS Number | 379255-44-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CNC(=O)CCl |
Product Overview
4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester (CAS 379255-44-4), with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol. IUPAC: methyl 4-[[(2-chloroacetyl)amino]methyl]benzoate.
Chemical Property Profile of 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester
Property Insights of 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester
The XLogP value of 1.3282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester 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 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester?
The CAS number of 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester is 379255-44-4.
What is the molecular formula of 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester?
The molecular formula of 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester is C11H12ClNO3.
What is the molecular weight of 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester?
The molecular weight of 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester is 241.05 g/mol.
Where can I buy 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester?
You can request a quote for 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.