ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate
TL;DR: ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate (CAS 340029-71-2) is a chemical compound with molecular formula C16H15F3N4O4 and molecular weight 384.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-phenoxy-2-(pyrimidin-2-ylcarbamoylamino)propanoate
Also Known As: ethyl 3,3,3-trifluoro-2-phenoxy-2-(3-(pyrimidin-2-yl)ureido)propanoate, ethyl 3,3,3-trifluoro-2-phenoxy-2-(pyrimidin-2-ylcarbamoylamino)propanoate, ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate
| Molecular Formula | C16H15F3N4O4 |
|---|---|
| Molecular Weight | 384.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.10455 |
| Heavy Atoms | 27 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 340029-71-2 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=NC=CC=N1)OC2=CC=CC=C2 |
| InChIKey | NVIAPZFUWYGLTK-UHFFFAOYSA-N |
Product Overview
ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate (CAS 340029-71-2), with molecular formula C16H15F3N4O4 and molecular weight 384.10 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-phenoxy-2-(pyrimidin-2-ylcarbamoylamino)propanoate.
Chemical Property Profile of ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate
Property Insights of ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate. Following Lipinski's Rule of Five, ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate has 2 hydrogen bond donor(s) and 9 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 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate?
The CAS number of ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate is 340029-71-2.
What is the molecular formula of ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate?
The molecular formula of ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate is C16H15F3N4O4.
What is the molecular weight of ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate?
The molecular weight of ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate is 384.10 g/mol.
Where can I buy ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate?
You can request a quote for ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,3,3-trifluoro-2-phenoxy-N-(pyrimidin-2-ylcarbamoyl)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.