Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate
TL;DR: Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate (CAS 17738-62-4) is a chemical compound with molecular formula C11H9ClF3NO3 and molecular weight 295.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoacetate
Also Known As: BAS 00753922, NCI60_007088, ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate, ethyl 2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoacetate, N-ethoxalyl-4-chloro-3-trifluoromethylaniline
| Molecular Formula | C11H9ClF3NO3 |
|---|---|
| Molecular Weight | 295.02 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0223 |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 17738-62-4 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F |
| InChIKey | IWLMVDYPZUGUSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate (CAS 17738-62-4), with molecular formula C11H9ClF3NO3 and molecular weight 295.02 g/mol. IUPAC: ethyl 2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoacetate.
Chemical Property Profile of Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate
Property Insights of Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate
The XLogP value of 4.0 indicates that Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate has 1 hydrogen bond donor(s) and 6 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 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate?
The CAS number of Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate is 17738-62-4.
What is the molecular formula of Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate?
The molecular formula of Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate is C11H9ClF3NO3.
What is the molecular weight of Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate?
The molecular weight of Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate is 295.02 g/mol.
Where can I buy Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate?
You can request a quote for Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-chloro-3-(trifluoromethyl)phenylamino)-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.