![Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate structure](/static/products/126/126991-37-5.webp)
Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate
TL;DR: Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate (CAS 126991-37-5) is a chemical compound with molecular formula C11H9ClF3NO3 and molecular weight 295.0223 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate
Also Known As: 5-chloro-2-ethoxalylaminobenzotrifluoride, N-ethoxalyl-4-chloro-2-trifluoromethylaniline, AQ-911/41960082, ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate, ethyl [4-chloro-2-(trifluoromethyl)anilino](oxo)acetate
Technical Specifications
| Molecular Formula | C11H9ClF3NO3 |
| Molecular Weight | 295.0223 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0223 Da |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
| SMILES | CCOC(=O)C(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F |
| InChIKey | SFEGNHXTMWQDDB-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate
Property Insights of Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-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
What is the CAS number of Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate?
The CAS number of Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate is 126991-37-5.
What is the molecular formula of Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate?
The molecular formula of Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate is C11H9ClF3NO3.
What is the molecular weight of Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate?
The molecular weight of Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate is 295.0223 g/mol.
Where can I buy Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate?
You can request a quote for Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.