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Ethyl [(4-chlorophenyl)amino](oxo)acetate
TL;DR: Ethyl [(4-chlorophenyl)amino](oxo)acetate (CAS 5397-14-8) 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.
ethyl 2-(4-chloroanilino)-2-oxoacetate
Also Known As: ethyl [(4-chlorophenyl)amino](oxo)acetate, Ethyl 4'-chlorooxanilate, ethyl 2-(4-chlorophenylamino)-2-oxoacetate, ethylN- -2-oxoglycinate, ethyl 2-(4-chloroanilino)-2-oxoacetate
| Molecular Formula | C10H10ClNO3 |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 2.1 |
| 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 | 5397-14-8 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=CC=C(C=C1)Cl |
| InChIKey | JFAOXNRPSKOLNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl [(4-chlorophenyl)amino](oxo)acetate (CAS 5397-14-8), with molecular formula C10H10ClNO3 and molecular weight 227.03 g/mol. IUPAC: ethyl 2-(4-chloroanilino)-2-oxoacetate.
Chemical Property Profile of Ethyl [(4-chlorophenyl)amino](oxo)acetate
Property Insights of Ethyl [(4-chlorophenyl)amino](oxo)acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(4-chlorophenyl)amino](oxo)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl [(4-chlorophenyl)amino](oxo)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl [(4-chlorophenyl)amino](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-chlorophenyl)amino](oxo)acetate?
The CAS number of Ethyl [(4-chlorophenyl)amino](oxo)acetate is 5397-14-8.
What is the molecular formula of Ethyl [(4-chlorophenyl)amino](oxo)acetate?
The molecular formula of Ethyl [(4-chlorophenyl)amino](oxo)acetate is C10H10ClNO3.
What is the molecular weight of Ethyl [(4-chlorophenyl)amino](oxo)acetate?
The molecular weight of Ethyl [(4-chlorophenyl)amino](oxo)acetate is 227.03 g/mol.
Where can I buy Ethyl [(4-chlorophenyl)amino](oxo)acetate?
You can request a quote for Ethyl [(4-chlorophenyl)amino](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-chlorophenyl)amino](oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(4-chlorophenyl)amino](oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.