Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate
TL;DR: Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate (CAS 796-80-5) is a chemical compound with molecular formula C14H11F3N2O3 and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-phenoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate
Also Known As: Maybridge3_007064, IDI1_018451, ethyl 4-phenoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate, 5-pyrimidinecarboxylicacid,4-phenoxy-2-,ethylester, Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate
| Molecular Formula | C14H11F3N2O3 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 3.4644 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.07217 |
| Heavy Atoms | 22 |
| Complexity | 660.1278 |
Chemical Identifiers
| CAS Number | 796-80-5 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1OC2=CC=CC=C2)C(F)(F)F |
Product Overview
Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate (CAS 796-80-5), with molecular formula C14H11F3N2O3 and molecular weight 312.07 g/mol. IUPAC: ethyl 4-phenoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate
Property Insights of Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate
The XLogP value of 3.4644 indicates that Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-phenoxy-2-(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 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate?
The CAS number of Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate is 796-80-5.
What is the molecular formula of Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate is C14H11F3N2O3.
What is the molecular weight of Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate is 312.07 g/mol.
Where can I buy Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 4-phenoxy-2-(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 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.