Methyl 4-(2-chloroacetamido)benzoate
TL;DR: Methyl 4-(2-chloroacetamido)benzoate (CAS 82544-82-9) is a chemical compound with molecular formula C10H10ClNO3 and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-chloroacetyl)amino]benzoate
Also Known As: methyl 4-[(chloroacetyl)amino]benzoate, methyl 4-(2-chloroacetamido)benzoate, Drospirenone Intermediates, methyl 4-[(2-chloroacetyl)amino]benzoate, 1-Benzothiophene 1,1-dioxide
| Molecular Formula | C10H10ClNO3 |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.03493 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 82544-82-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CCl |
| InChIKey | UMSMQBDWLGSKCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(2-chloroacetamido)benzoate (CAS 82544-82-9), with molecular formula C10H10ClNO3 and molecular weight 227.03 g/mol. IUPAC: methyl 4-[(2-chloroacetyl)amino]benzoate.
Chemical Property Profile of Methyl 4-(2-chloroacetamido)benzoate
Property Insights of Methyl 4-(2-chloroacetamido)benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-chloroacetamido)benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 4-(2-chloroacetamido)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(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 Methyl 4-(2-chloroacetamido)benzoate?
The CAS number of Methyl 4-(2-chloroacetamido)benzoate is 82544-82-9.
What is the molecular formula of Methyl 4-(2-chloroacetamido)benzoate?
The molecular formula of Methyl 4-(2-chloroacetamido)benzoate is C10H10ClNO3.
What is the molecular weight of Methyl 4-(2-chloroacetamido)benzoate?
The molecular weight of Methyl 4-(2-chloroacetamido)benzoate is 227.03 g/mol.
Where can I buy Methyl 4-(2-chloroacetamido)benzoate?
You can request a quote for Methyl 4-(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 Methyl 4-(2-chloroacetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-chloroacetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.