![ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate structure](/static/products/352/352318-55-9.png)
ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate
TL;DR: ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate (CAS 352318-55-9) is a chemical compound with molecular formula C20H18F6N2O4 and molecular weight 464.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)-2-[3-(trifluoromethyl)anilino]propanoate
Also Known As: ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate, ethyl 2-(((benzyloxy)carbonyl)amino)-3,3,3-trifluoro-2-((3-(trifluoromethyl)phenyl)amino)propanoate, ethyl 2-{[(benzyloxy)carbonyl]amino}-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate, ethyl 3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)-2-[3-(trifluoromethyl)anilino]propanoate
| Molecular Formula | C20H18F6N2O4 |
|---|---|
| Molecular Weight | 464.12 g/mol |
| LogP | 4.8654 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.11707 |
| Heavy Atoms | 32 |
| Complexity | 933.6775 |
Chemical Identifiers
| CAS Number | 352318-55-9 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=CC(=C1)C(F)(F)F)NC(=O)OCC2=CC=CC=C2 |
Product Overview
ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate (CAS 352318-55-9), with molecular formula C20H18F6N2O4 and molecular weight 464.12 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)-2-[3-(trifluoromethyl)anilino]propanoate.
Chemical Property Profile of ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate
Property Insights of ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate
The XLogP value of 4.8654 indicates that ethyl N-[(benzyloxy)carbonyl]-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 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate. Following Lipinski's Rule of Five, ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate 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 N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate?
The CAS number of ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate is 352318-55-9.
What is the molecular formula of ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate?
The molecular formula of ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate is C20H18F6N2O4.
What is the molecular weight of ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate?
The molecular weight of ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate is 464.12 g/mol.
Where can I buy ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate?
You can request a quote for ethyl N-[(benzyloxy)carbonyl]-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-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)phenyl]amino}alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.