Methyl 3-(2-chloroacetamido)-4-methylbenzoate
TL;DR: Methyl 3-(2-chloroacetamido)-4-methylbenzoate (CAS 54941-43-4) 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 3-[(2-chloroacetyl)amino]-4-methylbenzoate
Also Known As: methyl 3-(2-chloroacetamido)-4-methylbenzoate, methyl 3-[(chloroacetyl)amino]-4-methylbenzoate, methyl 3-[(2-chloroacetyl)amino]-4-methylbenzoate, methyl 3-[(2-chloroacetyl)amino]-4-methyl-benzoate, METHYL3-[(CHLOROACETYL)AMINO]-4-METHYLBENZOATE
| Molecular Formula | C11H12ClNO3 |
|---|---|
| Molecular Weight | 241.05 g/mol |
| LogP | 1.95892 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.05057 |
| Heavy Atoms | 16 |
| Complexity | 417.69073 |
Chemical Identifiers
| CAS Number | 54941-43-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCl |
Product Overview
Methyl 3-(2-chloroacetamido)-4-methylbenzoate (CAS 54941-43-4), with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol. IUPAC: methyl 3-[(2-chloroacetyl)amino]-4-methylbenzoate.
Chemical Property Profile of Methyl 3-(2-chloroacetamido)-4-methylbenzoate
Property Insights of Methyl 3-(2-chloroacetamido)-4-methylbenzoate
The XLogP value of 1.95892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2-chloroacetamido)-4-methylbenzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-(2-chloroacetamido)-4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(2-chloroacetamido)-4-methylbenzoate 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-(2-chloroacetamido)-4-methylbenzoate?
The CAS number of Methyl 3-(2-chloroacetamido)-4-methylbenzoate is 54941-43-4.
What is the molecular formula of Methyl 3-(2-chloroacetamido)-4-methylbenzoate?
The molecular formula of Methyl 3-(2-chloroacetamido)-4-methylbenzoate is C11H12ClNO3.
What is the molecular weight of Methyl 3-(2-chloroacetamido)-4-methylbenzoate?
The molecular weight of Methyl 3-(2-chloroacetamido)-4-methylbenzoate is 241.05 g/mol.
Where can I buy Methyl 3-(2-chloroacetamido)-4-methylbenzoate?
You can request a quote for Methyl 3-(2-chloroacetamido)-4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2-chloroacetamido)-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-chloroacetamido)-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.