![ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate structure](/static/products/329/329182-31-2.png)
ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate
TL;DR: ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate (CAS 329182-31-2) 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-acetamido-3,3,3-trifluoro-2-[(4-fluorophenyl)methoxy]propanoate
Also Known As: ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate, ethyl 2-acetamido-3,3,3-trifluoro-2-((4-fluorobenzyl)oxy)propanoate, ethyl 2-acetamido-3,3,3-trifluoro-2-[(4-fluorophenyl)methoxy]propanoate
| Molecular Formula | C14H15F4NO4 |
|---|---|
| Molecular Weight | 337.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 337.09372 |
| Heavy Atoms | 23 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 329182-31-2 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)C)OCC1=CC=C(C=C1)F |
| InChIKey | VSKBJJKVGLMMED-UHFFFAOYSA-N |
Product Overview
ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate (CAS 329182-31-2), with molecular formula C14H15F4NO4 and molecular weight 337.09 g/mol. IUPAC: ethyl 2-acetamido-3,3,3-trifluoro-2-[(4-fluorophenyl)methoxy]propanoate.
Chemical Property Profile of ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate
Property Insights of ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate. Following Lipinski's Rule of Five, ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate has 1 hydrogen bond donor(s) and 8 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-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate?
The CAS number of ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate is 329182-31-2.
What is the molecular formula of ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate?
The molecular formula of ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate is C14H15F4NO4.
What is the molecular weight of ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate?
The molecular weight of ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate is 337.09 g/mol.
Where can I buy ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate?
You can request a quote for ethyl N-acetyl-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-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-acetyl-3,3,3-trifluoro-2-[(4-fluorobenzyl)oxy]alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.