![Methyl 3-{[(chloroacetyl)amino]methyl}benzoate structure](/static/products/7455/74553-27-8.webp)
Methyl 3-{[(chloroacetyl)amino]methyl}benzoate
TL;DR: Methyl 3-{[(chloroacetyl)amino]methyl}benzoate (CAS 74553-27-8) 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 3-[[(2-chloroacetyl)amino]methyl]benzoate
Also Known As: methyl 3-{[(chloroacetyl)amino]methyl}benzoate, methyl 3-[[(2-chloroacetyl)amino]methyl]benzoate, Methyl 3-([(chloroacetyl)amino]methyl)benzoate, METHYL 3-[(2-CHLOROACETAMIDO)METHYL]BENZOATE, Methyl 3-{(chloroacetyl)aminomethyl}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 | 392.57098 |
Chemical Identifiers
| CAS Number | 74553-27-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)CNC(=O)CCl |
Product Overview
Methyl 3-{[(chloroacetyl)amino]methyl}benzoate (CAS 74553-27-8), with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol. IUPAC: methyl 3-[[(2-chloroacetyl)amino]methyl]benzoate.
Chemical Property Profile of Methyl 3-{[(chloroacetyl)amino]methyl}benzoate
Property Insights of Methyl 3-{[(chloroacetyl)amino]methyl}benzoate
The XLogP value of 1.3282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-{[(chloroacetyl)amino]methyl}benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-{[(chloroacetyl)amino]methyl}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-{[(chloroacetyl)amino]methyl}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 Methyl 3-{[(chloroacetyl)amino]methyl}benzoate?
The CAS number of Methyl 3-{[(chloroacetyl)amino]methyl}benzoate is 74553-27-8.
What is the molecular formula of Methyl 3-{[(chloroacetyl)amino]methyl}benzoate?
The molecular formula of Methyl 3-{[(chloroacetyl)amino]methyl}benzoate is C11H12ClNO3.
What is the molecular weight of Methyl 3-{[(chloroacetyl)amino]methyl}benzoate?
The molecular weight of Methyl 3-{[(chloroacetyl)amino]methyl}benzoate is 241.05 g/mol.
Where can I buy Methyl 3-{[(chloroacetyl)amino]methyl}benzoate?
You can request a quote for Methyl 3-{[(chloroacetyl)amino]methyl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[(chloroacetyl)amino]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[(chloroacetyl)amino]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.