2-Acetamido-5-chlorobenzoic Acid Methyl Ester
TL;DR: 2-Acetamido-5-chlorobenzoic Acid Methyl Ester (CAS 20676-54-4) 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 2-acetamido-5-chlorobenzoate
Also Known As: Methyl 2-acetamido-5-chlorobenzoate, Methyl2-Acetamido-5-chlorobenzoate, methyl 5-chloro-2-acetamidobenzoate, Methyl N-Acetyl-5-chloroanthranilate, 2-Acetamido-5-chlorobenzoic Acid Methyl Ester
| Molecular Formula | C10H10ClNO3 |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 2.085 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.03493 |
| Heavy Atoms | 15 |
| Complexity | 403.65402 |
Chemical Identifiers
| CAS Number | 20676-54-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)OC |
Product Overview
2-Acetamido-5-chlorobenzoic Acid Methyl Ester (CAS 20676-54-4), with molecular formula C10H10ClNO3 and molecular weight 227.03 g/mol. IUPAC: methyl 2-acetamido-5-chlorobenzoate.
Chemical Property Profile of 2-Acetamido-5-chlorobenzoic Acid Methyl Ester
Property Insights of 2-Acetamido-5-chlorobenzoic Acid Methyl Ester
The XLogP value of 2.085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetamido-5-chlorobenzoic Acid Methyl Ester. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Acetamido-5-chlorobenzoic Acid Methyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetamido-5-chlorobenzoic 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 2-Acetamido-5-chlorobenzoic Acid Methyl Ester?
The CAS number of 2-Acetamido-5-chlorobenzoic Acid Methyl Ester is 20676-54-4.
What is the molecular formula of 2-Acetamido-5-chlorobenzoic Acid Methyl Ester?
The molecular formula of 2-Acetamido-5-chlorobenzoic Acid Methyl Ester is C10H10ClNO3.
What is the molecular weight of 2-Acetamido-5-chlorobenzoic Acid Methyl Ester?
The molecular weight of 2-Acetamido-5-chlorobenzoic Acid Methyl Ester is 227.03 g/mol.
Where can I buy 2-Acetamido-5-chlorobenzoic Acid Methyl Ester?
You can request a quote for 2-Acetamido-5-chlorobenzoic 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 2-Acetamido-5-chlorobenzoic Acid Methyl Ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetamido-5-chlorobenzoic Acid Methyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.