Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate
TL;DR: Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 343-67-9) is a chemical compound with molecular formula C8H7F3N2O3 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylate
Also Known As: Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate, ethyl 4-hydroxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate, ethyl 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylate, ethylhydroxytrifluoromethylpyrimidinecarboxylate, ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-ca
| Molecular Formula | C8H7F3N2O3 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 0.9654 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.04088 |
| Heavy Atoms | 16 |
| Complexity | 452.57715 |
Chemical Identifiers
| CAS Number | 343-67-9 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(NC1=O)C(F)(F)F |
Product Overview
Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 343-67-9), with molecular formula C8H7F3N2O3 and molecular weight 236.04 g/mol. IUPAC: ethyl 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate
Property Insights of Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate
The XLogP value of 0.9654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 4 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-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The CAS number of Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate is 343-67-9.
What is the molecular formula of Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate is C8H7F3N2O3.
What is the molecular weight of Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate is 236.04 g/mol.
Where can I buy Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.