Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate
TL;DR: Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate (CAS 866133-18-8) is a chemical compound with molecular formula C13H10F3N3O2 and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-pyridin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
Also Known As: ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate, 7W-0286, ethyl 2-(pyridin-4-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylate, ethyl 2-pyridin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate, ethyl2-(pyridin-4-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylate
| Molecular Formula | C13H10F3N3O2 |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 2.7341 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.0725 |
| Heavy Atoms | 21 |
| Complexity | 644.8549 |
Chemical Identifiers
| CAS Number | 866133-18-8 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1C(F)(F)F)C2=CC=NC=C2 |
Product Overview
Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate (CAS 866133-18-8), with molecular formula C13H10F3N3O2 and molecular weight 297.07 g/mol. IUPAC: ethyl 2-pyridin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate
Property Insights of Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate
The XLogP value of 2.7341 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate. The TPSA of 64.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate has 0 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 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate?
The CAS number of Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate is 866133-18-8.
What is the molecular formula of Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate is C13H10F3N3O2.
What is the molecular weight of Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate is 297.07 g/mol.
Where can I buy Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.