Methyl 2-(4-chloroanilino)-2-oxoacetate
TL;DR: Methyl 2-(4-chloroanilino)-2-oxoacetate (CAS 41374-66-7) is a chemical compound with molecular formula C9H8ClNO3 and molecular weight 213.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-chloroanilino)-2-oxoacetate
Also Known As: methyl 2-(4-chloroanilino)-2-oxoacetate, methyl 4-chlorophenylamino-oxo-acetate, Methyl (4-chloroanilino)(oxo)acetate, methyl [N-(4-chlorophenyl)carbamoyl]formate, J1.237.346E
| Molecular Formula | C9H8ClNO3 |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | 1.4515 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.01927 |
| Heavy Atoms | 14 |
| Complexity | 347.57962 |
Chemical Identifiers
| CAS Number | 41374-66-7 |
|---|---|
| SMILES | COC(=O)C(=O)NC1=CC=C(C=C1)Cl |
Product Overview
Methyl 2-(4-chloroanilino)-2-oxoacetate (CAS 41374-66-7), with molecular formula C9H8ClNO3 and molecular weight 213.02 g/mol. IUPAC: methyl 2-(4-chloroanilino)-2-oxoacetate.
Chemical Property Profile of Methyl 2-(4-chloroanilino)-2-oxoacetate
Property Insights of Methyl 2-(4-chloroanilino)-2-oxoacetate
The XLogP value of 1.4515 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-chloroanilino)-2-oxoacetate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-(4-chloroanilino)-2-oxoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-chloroanilino)-2-oxoacetate 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 2-(4-chloroanilino)-2-oxoacetate?
The CAS number of Methyl 2-(4-chloroanilino)-2-oxoacetate is 41374-66-7.
What is the molecular formula of Methyl 2-(4-chloroanilino)-2-oxoacetate?
The molecular formula of Methyl 2-(4-chloroanilino)-2-oxoacetate is C9H8ClNO3.
What is the molecular weight of Methyl 2-(4-chloroanilino)-2-oxoacetate?
The molecular weight of Methyl 2-(4-chloroanilino)-2-oxoacetate is 213.02 g/mol.
Where can I buy Methyl 2-(4-chloroanilino)-2-oxoacetate?
You can request a quote for Methyl 2-(4-chloroanilino)-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-chloroanilino)-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-chloroanilino)-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.