ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate
TL;DR: ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate (CAS 331632-53-2) is a chemical compound with molecular formula C14H15F4NO4 and molecular weight 337.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluorophenyl)propanoate
Also Known As: AB01334146-02, BRD-A36818104-001-01-3, ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluorophenyl)propanoate, ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate, ethyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-(4-fluorophenyl)propanoate
| Molecular Formula | C14H15F4NO4 |
|---|---|
| Molecular Weight | 337.09 g/mol |
| LogP | 2.8925 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.09372 |
| Heavy Atoms | 23 |
| Complexity | 558.89087 |
Chemical Identifiers
| CAS Number | 331632-53-2 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)F)(C(F)(F)F)NC(=O)OCC |
Product Overview
ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate (CAS 331632-53-2), with molecular formula C14H15F4NO4 and molecular weight 337.09 g/mol. IUPAC: ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluorophenyl)propanoate.
Chemical Property Profile of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate
Property Insights of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate
The XLogP value of 2.8925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate. Following Lipinski's Rule of Five, ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)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-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate?
The CAS number of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate is 331632-53-2.
What is the molecular formula of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate?
The molecular formula of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate is C14H15F4NO4.
What is the molecular weight of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate?
The molecular weight of ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate is 337.09 g/mol.
Where can I buy ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate?
You can request a quote for ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)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-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.