![ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate structure](/static/products/331/331632-40-7.png)
ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate
TL;DR: ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate (CAS 331632-40-7) is a chemical compound with molecular formula C20H15F9N2O3 and molecular weight 502.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]-2-[[3-(trifluoromethyl)benzoyl]amino]propanoate
Also Known As: ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate, ethyl 3,3,3-trifluoro-2-(3-(trifluoromethyl)benzamido)-2-((3-(trifluoromethyl)phenyl)amino)propanoate, ethyl 3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]-2-[[3-(trifluoromethyl)benzoyl]amino]propanoate
| Molecular Formula | C20H15F9N2O3 |
|---|---|
| Molecular Weight | 502.09 g/mol |
| LogP | 5.3878 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.0939 |
| Heavy Atoms | 34 |
| Complexity | 1048.5604 |
Chemical Identifiers
| CAS Number | 331632-40-7 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=CC(=C1)C(F)(F)F)NC(=O)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate (CAS 331632-40-7), with molecular formula C20H15F9N2O3 and molecular weight 502.09 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]-2-[[3-(trifluoromethyl)benzoyl]amino]propanoate.
Chemical Property Profile of ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate
Property Insights of ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate
The XLogP value of 5.3878 indicates that ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate. Following Lipinski's Rule of Five, ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate?
The CAS number of ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate is 331632-40-7.
What is the molecular formula of ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate?
The molecular formula of ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate is C20H15F9N2O3.
What is the molecular weight of ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate?
The molecular weight of ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate is 502.09 g/mol.
Where can I buy ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate?
You can request a quote for ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.