![Ethyl 2-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate structure](/static/products/6906/69065-93-6.webp)
Ethyl 2-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate
TL;DR: Ethyl 2-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate (CAS 69065-93-6) is a chemical compound with molecular formula C12H9F6NO3 and molecular weight 329.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetate
Also Known As: ethyl 2-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate, ethyl 2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-acetate, N-Ethoxalyl-3,5-bis(trifluoromethyl)aniline, N-ethoxalyl-3,5-bistrifluoromethylaniline, Ethyl 2-((3,5-bis(trifluoromethyl)phenyl)amino)-2-oxoacetate
| Molecular Formula | C12H9F6NO3 |
|---|---|
| Molecular Weight | 329.05 g/mol |
| LogP | 3.2258 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.04868 |
| Heavy Atoms | 22 |
| Complexity | 546.95483 |
Chemical Identifiers
| CAS Number | 69065-93-6 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
Product Overview
Ethyl 2-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate (CAS 69065-93-6), with molecular formula C12H9F6NO3 and molecular weight 329.05 g/mol. IUPAC: ethyl 2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetate.
Chemical Property Profile of Ethyl 2-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate
Property Insights of Ethyl 2-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate
The XLogP value of 3.2258 indicates that Ethyl 2-[3,5-di(trifluoromethyl)anilino]-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-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate 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 2-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate?
The CAS number of Ethyl 2-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate is 69065-93-6.
What is the molecular formula of Ethyl 2-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate?
The molecular formula of Ethyl 2-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate is C12H9F6NO3.
What is the molecular weight of Ethyl 2-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate?
The molecular weight of Ethyl 2-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate is 329.05 g/mol.
Where can I buy Ethyl 2-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate?
You can request a quote for Ethyl 2-[3,5-di(trifluoromethyl)anilino]-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-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[3,5-di(trifluoromethyl)anilino]-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.