![ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate structure](/static/products/327/327098-57-7.png)
ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate
TL;DR: ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate (CAS 327098-57-7) is a chemical compound with molecular formula C14H16F4N2O4 and molecular weight 352.10 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-[(4-fluorophenyl)carbamoylamino]propanoate
Also Known As: ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate, ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-fluorophenyl)ureido)propanoate, ethyl 2-ethoxy-3,3,3-trifluoro-2-[(4-fluorophenyl)carbamoylamino]propanoate
| Molecular Formula | C14H16F4N2O4 |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.1046 |
| Heavy Atoms | 24 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 327098-57-7 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=C(C=C1)F)OCC |
| InChIKey | AAGXIKDFBVLKKF-UHFFFAOYSA-N |
Product Overview
ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate (CAS 327098-57-7), with molecular formula C14H16F4N2O4 and molecular weight 352.10 g/mol. IUPAC: ethyl 2-ethoxy-3,3,3-trifluoro-2-[(4-fluorophenyl)carbamoylamino]propanoate.
Chemical Property Profile of ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate
Property Insights of ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate. Following Lipinski's Rule of Five, ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate has 2 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 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate?
The CAS number of ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate is 327098-57-7.
What is the molecular formula of ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate?
The molecular formula of ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate is C14H16F4N2O4.
What is the molecular weight of ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate?
The molecular weight of ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate is 352.10 g/mol.
Where can I buy ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate?
You can request a quote for ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-ethoxy-3,3,3-trifluoro-N-[(4-fluorophenyl)carbamoyl]alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.