ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate
TL;DR: ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate (CAS 372173-93-8) is a chemical compound with molecular formula C16H18F6N2O4 and molecular weight 416.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-(propan-2-yloxycarbonylamino)-2-[3-(trifluoromethyl)anilino]propanoate
Also Known As: ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate, ethyl 3,3,3-trifluoro-2-(propan-2-yloxycarbonylamino)-2-[3-(trifluoromethyl)anilino]propanoate, ethyl 3,3,3-trifluoro-N-[(propan-2-yloxy)carbonyl]-2-{[3-(trifluoromethyl)phenyl]amino}alaninate
| Molecular Formula | C16H18F6N2O4 |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 4.0736 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.11707 |
| Heavy Atoms | 28 |
| Complexity | 705.1103 |
Chemical Identifiers
| CAS Number | 372173-93-8 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=CC(=C1)C(F)(F)F)NC(=O)OC(C)C |
Product Overview
ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate (CAS 372173-93-8), with molecular formula C16H18F6N2O4 and molecular weight 416.12 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-(propan-2-yloxycarbonylamino)-2-[3-(trifluoromethyl)anilino]propanoate.
Chemical Property Profile of ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate
Property Insights of ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate
The XLogP value of 4.0736 indicates that ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate. Following Lipinski's Rule of Five, ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate has 2 hydrogen bond donor(s) and 5 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 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate?
The CAS number of ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate is 372173-93-8.
What is the molecular formula of ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate?
The molecular formula of ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate is C16H18F6N2O4.
What is the molecular weight of ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate?
The molecular weight of ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate is 416.12 g/mol.
Where can I buy ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate?
You can request a quote for ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate 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-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-((3-(trifluoromethyl)phenyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.