![ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate structure](/static/products/354/354773-09-4.png)
ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate
TL;DR: ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate (CAS 354773-09-4) is a chemical compound with molecular formula C15H16F3N3O4 and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-cyanophenyl)carbamoylamino]-2-ethoxy-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-(3-(4-cyanophenyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate, ethyl 2-[(4-cyanophenyl)carbamoylamino]-2-ethoxy-3,3,3-trifluoropropanoate, ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate
| Molecular Formula | C15H16F3N3O4 |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 2.53798 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.10928 |
| Heavy Atoms | 25 |
| Complexity | 655.4708 |
Chemical Identifiers
| CAS Number | 354773-09-4 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=C(C=C1)C#N)OCC |
Product Overview
ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate (CAS 354773-09-4), with molecular formula C15H16F3N3O4 and molecular weight 359.11 g/mol. IUPAC: ethyl 2-[(4-cyanophenyl)carbamoylamino]-2-ethoxy-3,3,3-trifluoropropanoate.
Chemical Property Profile of ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate
Property Insights of ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate
The XLogP value of 2.53798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate. Following Lipinski's Rule of Five, ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate has 2 hydrogen bond donor(s) and 5 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-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate?
The CAS number of ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate is 354773-09-4.
What is the molecular formula of ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate?
The molecular formula of ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate is C15H16F3N3O4.
What is the molecular weight of ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate?
The molecular weight of ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate is 359.11 g/mol.
Where can I buy ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate?
You can request a quote for ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[(4-cyanophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.