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Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate
TL;DR: Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate (CAS 15386-84-2) 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 3-(4-chloroanilino)-3-oxopropanoate
Also Known As: ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate, Ethyl 4'-chloromalonanilate, ethyl 2-[(4-chlorophenyl)carbamoyl]acetate, ethyl 3-(4-chloroanilino)-3-oxopropanoate, Malonanilic acid, 4'-chloro-, ethyl ester
| Molecular Formula | C11H12ClNO3 |
|---|---|
| Molecular Weight | 241.05 g/mol |
| LogP | 2.2317 |
| 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 | 375.32098 |
Chemical Identifiers
| CAS Number | 15386-84-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)NC1=CC=C(C=C1)Cl |
Product Overview
Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate (CAS 15386-84-2), with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol. IUPAC: ethyl 3-(4-chloroanilino)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate
Property Insights of Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate
The XLogP value of 2.2317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate 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 3-[(4-chlorophenyl)amino]-3-oxopropanoate?
The CAS number of Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate is 15386-84-2.
What is the molecular formula of Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate?
The molecular formula of Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate is C11H12ClNO3.
What is the molecular weight of Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate?
The molecular weight of Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate is 241.05 g/mol.
Where can I buy Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate?
You can request a quote for Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(4-chlorophenyl)amino]-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.