Methyl 3-(acetylamino)-4-chlorobenzoate
TL;DR: Methyl 3-(acetylamino)-4-chlorobenzoate (CAS 708223-17-0) 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 3-acetamido-4-chlorobenzoate
Also Known As: methyl 3-acetamido-4-chlorobenzoate, methyl3-acetamido-4-chlorobenzoate, methyl 3-(acetylamino)-4-chlorobenzoate, SDCCGMLS-0006765.P002, AQ-012/42496340
| 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 | 708223-17-0 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl |
Product Overview
Methyl 3-(acetylamino)-4-chlorobenzoate (CAS 708223-17-0), with molecular formula C10H10ClNO3 and molecular weight 227.03 g/mol. IUPAC: methyl 3-acetamido-4-chlorobenzoate.
Chemical Property Profile of Methyl 3-(acetylamino)-4-chlorobenzoate
Property Insights of Methyl 3-(acetylamino)-4-chlorobenzoate
The XLogP value of 2.085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(acetylamino)-4-chlorobenzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-(acetylamino)-4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(acetylamino)-4-chlorobenzoate 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-(acetylamino)-4-chlorobenzoate?
The CAS number of Methyl 3-(acetylamino)-4-chlorobenzoate is 708223-17-0.
What is the molecular formula of Methyl 3-(acetylamino)-4-chlorobenzoate?
The molecular formula of Methyl 3-(acetylamino)-4-chlorobenzoate is C10H10ClNO3.
What is the molecular weight of Methyl 3-(acetylamino)-4-chlorobenzoate?
The molecular weight of Methyl 3-(acetylamino)-4-chlorobenzoate is 227.03 g/mol.
Where can I buy Methyl 3-(acetylamino)-4-chlorobenzoate?
You can request a quote for Methyl 3-(acetylamino)-4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(acetylamino)-4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(acetylamino)-4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.