![ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate structure](/static/products/255/255714-76-2.png)
ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate
TL;DR: ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate (CAS 255714-76-2) is a chemical compound with molecular formula C19H16ClF4NO4 and molecular weight 433.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoro-2-[(4-fluorophenyl)methoxy]propanoate
Also Known As: ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate, ethyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((4-fluorobenzyl)oxy)propanoate, ethyl 2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoro-2-[(4-fluorophenyl)methoxy]propanoate, 2-(3-Chloro-benzoylamino)-3,3,3-trifluoro-2-(4-fluoro-benzyloxy)-propionic acid ethyl ester
| Molecular Formula | C19H16ClF4NO4 |
|---|---|
| Molecular Weight | 433.07 g/mol |
| LogP | 4.2474 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.0704 |
| Heavy Atoms | 29 |
| Complexity | 873.258 |
Chemical Identifiers
| CAS Number | 255714-76-2 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC(=CC=C1)Cl)OCC2=CC=C(C=C2)F |
Product Overview
ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate (CAS 255714-76-2), with molecular formula C19H16ClF4NO4 and molecular weight 433.07 g/mol. IUPAC: ethyl 2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoro-2-[(4-fluorophenyl)methoxy]propanoate.
Chemical Property Profile of ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate
Property Insights of ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate
The XLogP value of 4.2474 indicates that ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate. Following Lipinski's Rule of Five, ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate has 1 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 ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate?
The CAS number of ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate is 255714-76-2.
What is the molecular formula of ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate?
The molecular formula of ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate is C19H16ClF4NO4.
What is the molecular weight of ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate?
The molecular weight of ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate is 433.07 g/mol.
Where can I buy ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate?
You can request a quote for ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]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-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.