![ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate structure](/static/products/254/254900-68-0.png)
ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate
TL;DR: ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate (CAS 254900-68-0) is a chemical compound with molecular formula C15H16F6N2O4 and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate
Also Known As: ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate, ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate, Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propionate, Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate #, ethyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-((3-(trifluoromethyl)phenyl)amino)propanoate
| Molecular Formula | C15H16F6N2O4 |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.10144 |
| Heavy Atoms | 27 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 254900-68-0 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=CC(=C1)C(F)(F)F)NC(=O)OCC |
| InChIKey | OARKSROYUOEQQC-UHFFFAOYSA-N |
Product Overview
ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate (CAS 254900-68-0), with molecular formula C15H16F6N2O4 and molecular weight 402.10 g/mol. IUPAC: ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate.
Chemical Property Profile of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate
Property Insights of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate
The XLogP value of 4.8 indicates that ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate. Following Lipinski's Rule of Five, ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate?
The CAS number of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate is 254900-68-0.
What is the molecular formula of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate?
The molecular formula of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate is C15H16F6N2O4.
What is the molecular weight of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate?
The molecular weight of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate is 402.10 g/mol.
Where can I buy ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate?
You can request a quote for ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.