Ethyl (4-chloro-2-methylanilino)(oxo)acetate
TL;DR: Ethyl (4-chloro-2-methylanilino)(oxo)acetate (CAS 69066-14-4) 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.
ethyl 2-(4-chloro-2-methylanilino)-2-oxoacetate
Also Known As: Ethyl (4-chloro-2-methylanilino)(oxo)acetate, BAS 02173961, ethyl 2-(4-chloro-2-methylanilino)-2-oxoacetate, NCI60_011488, ethyl [N-(4-chloro-2-methylphenyl)carbamoyl]formate
| Molecular Formula | C11H12ClNO3 |
|---|---|
| Molecular Weight | 241.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.05057 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 69066-14-4 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=C(C=C(C=C1)Cl)C |
| InChIKey | PMYROYQKBIJSQZ-UHFFFAOYSA-N |
Product Overview
Ethyl (4-chloro-2-methylanilino)(oxo)acetate (CAS 69066-14-4), with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol. IUPAC: ethyl 2-(4-chloro-2-methylanilino)-2-oxoacetate.
Chemical Property Profile of Ethyl (4-chloro-2-methylanilino)(oxo)acetate
Property Insights of Ethyl (4-chloro-2-methylanilino)(oxo)acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (4-chloro-2-methylanilino)(oxo)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl (4-chloro-2-methylanilino)(oxo)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (4-chloro-2-methylanilino)(oxo)acetate 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 Ethyl (4-chloro-2-methylanilino)(oxo)acetate?
The CAS number of Ethyl (4-chloro-2-methylanilino)(oxo)acetate is 69066-14-4.
What is the molecular formula of Ethyl (4-chloro-2-methylanilino)(oxo)acetate?
The molecular formula of Ethyl (4-chloro-2-methylanilino)(oxo)acetate is C11H12ClNO3.
What is the molecular weight of Ethyl (4-chloro-2-methylanilino)(oxo)acetate?
The molecular weight of Ethyl (4-chloro-2-methylanilino)(oxo)acetate is 241.05 g/mol.
Where can I buy Ethyl (4-chloro-2-methylanilino)(oxo)acetate?
You can request a quote for Ethyl (4-chloro-2-methylanilino)(oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (4-chloro-2-methylanilino)(oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (4-chloro-2-methylanilino)(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.