(S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate
TL;DR: (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate (CAS 355146-21-3) 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 2-ethoxy-3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate
Also Known As: (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate, ethyl 2-ethoxy-3,3,3-trifluoro-N-{[3-(trifluoromethyl)benzyl]carbamoyl}alaninate, 2-Ethoxy-3,3,3-trifluoro-2-[3-(3-trifluoromethyl-benzyl)-ureido]-propionic acid ethyl ester, ethyl 2-ethoxy-3,3,3-trifluoro-2-[(N-{[3-(trifluoromethyl)phenyl]methyl}carbam oyl)amino]propanoate, ethyl 2-ethoxy-3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate
| Molecular Formula | C16H18F6N2O4 |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 3.3628 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.11707 |
| Heavy Atoms | 28 |
| Complexity | 692.44745 |
Chemical Identifiers
| CAS Number | 355146-21-3 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)NCC1=CC(=CC=C1)C(F)(F)F)OCC |
Product Overview
(S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate (CAS 355146-21-3), with molecular formula C16H18F6N2O4 and molecular weight 416.12 g/mol. IUPAC: ethyl 2-ethoxy-3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoate.
Chemical Property Profile of (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate
Property Insights of (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate
The XLogP value of 3.3628 indicates that (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)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-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate. Following Lipinski's Rule of Five, (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate has 2 hydrogen bond donor(s) and 4 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-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate?
The CAS number of (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate is 355146-21-3.
What is the molecular formula of (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate?
The molecular formula of (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate is C16H18F6N2O4.
What is the molecular weight of (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate?
The molecular weight of (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate is 416.12 g/mol.
Where can I buy (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate?
You can request a quote for (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)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-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(3-(trifluoromethyl)benzyl)ureido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.