Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
TL;DR: Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CAS 117724-62-6) is a chemical compound with molecular formula C8H8F3NO2S and molecular weight 239.02278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate, Ethyl 2-methyl-4-(trifluoromethyl)thiazole-5-carboxylate, Bionet2_000259, ETHYL 4-(TRIFLUOROMETHYL)-2-METHYLTHIAZOLE-5-CARBOXYLATE, 5-Thiazolecarboxylicacid, 2-methyl-4-(trifluoromethyl)-, ethyl ester
Technical Specifications
| Molecular Formula | C8H8F3NO2S |
| Molecular Weight | 239.02278 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.02278 Da |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
| SMILES | CCOC(=O)C1=C(N=C(S1)C)C(F)(F)F |
| InChIKey | FKNJDCSKTSRSSW-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
Property Insights of Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The CAS number of Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is 117724-62-6.
What is the molecular formula of Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The molecular formula of Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is C8H8F3NO2S.
What is the molecular weight of Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The molecular weight of Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is 239.02278 g/mol.
Where can I buy Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
You can request a quote for Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.