(S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)phenyl)amino)propanoate
TL;DR: (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)phenyl)amino)propanoate (CAS 372087-97-3) is a chemical compound with molecular formula C19H16F6N2O4 and molecular weight 450.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzamido-3,3,3-trifluoro-2-[4-(trifluoromethoxy)anilino]propanoate
Also Known As: (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)phenyl)amino)propanoate, Ethyl 2-benzamido-3,3,3-trifluoro-2-[[4-(trifluoromethoxy)phenyl]amino]propanoate, ethyl 2-benzamido-3,3,3-trifluoro-2-[4-(trifluoromethoxy)anilino]propanoate, ethyl 3,3,3-trifluoro-N-(phenylcarbonyl)-2-{[4-(trifluoromethoxy)phenyl]amino}alaninate, ETHYL 3,3,3-TRIFLUORO-2-(PHENYLFORMAMIDO)-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}PROPANOATE
| Molecular Formula | C19H16F6N2O4 |
|---|---|
| Molecular Weight | 450.10 g/mol |
| LogP | 4.2488 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.10144 |
| Heavy Atoms | 31 |
| Complexity | 900.3543 |
Chemical Identifiers
| CAS Number | 372087-97-3 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)OC(F)(F)F)NC(=O)C2=CC=CC=C2 |
Product Overview
(S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)phenyl)amino)propanoate (CAS 372087-97-3), with molecular formula C19H16F6N2O4 and molecular weight 450.10 g/mol. IUPAC: ethyl 2-benzamido-3,3,3-trifluoro-2-[4-(trifluoromethoxy)anilino]propanoate.
Chemical Property Profile of (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)phenyl)amino)propanoate
Property Insights of (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)phenyl)amino)propanoate
The XLogP value of 4.2488 indicates that (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)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 (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)phenyl)amino)propanoate. Following Lipinski's Rule of Five, (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)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 (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)phenyl)amino)propanoate?
The CAS number of (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)phenyl)amino)propanoate is 372087-97-3.
What is the molecular formula of (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)phenyl)amino)propanoate?
The molecular formula of (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)phenyl)amino)propanoate is C19H16F6N2O4.
What is the molecular weight of (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)phenyl)amino)propanoate?
The molecular weight of (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)phenyl)amino)propanoate is 450.10 g/mol.
Where can I buy (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)phenyl)amino)propanoate?
You can request a quote for (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)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 (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)phenyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-ethyl 2-benzamido-3,3,3-trifluoro-2-((4-(trifluoromethoxy)phenyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.