Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate
TL;DR: Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate (CAS 256471-34-8) is a chemical compound with molecular formula C8H8F3NO3 and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate
Also Known As: ethyl 3-methyl-5-(trifluoromethyl)isoxazole-4-carboxylate, ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate, 3-methyl-5-(trifluoromethyl)-4-Isoxazolecarboxylic acid ethyl ester, 4H-1-Benzopyran-4-thione,2-(4-nitrophenyl), ethyl3-methyl-5-(trifluoromethyl)isoxazole-4-carboxylate
| Molecular Formula | C8H8F3NO3 |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 2.17852 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.04562 |
| Heavy Atoms | 15 |
| Complexity | 369.69907 |
Chemical Identifiers
| CAS Number | 256471-34-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(ON=C1C)C(F)(F)F |
Product Overview
Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate (CAS 256471-34-8), with molecular formula C8H8F3NO3 and molecular weight 223.05 g/mol. IUPAC: ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate.
Chemical Property Profile of Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate
Property Insights of Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate
The XLogP value of 2.17852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate. With a topological polar surface area (TPSA) of 52.33 Ų, Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate has 0 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 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate?
The CAS number of Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate is 256471-34-8.
What is the molecular formula of Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate?
The molecular formula of Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate is C8H8F3NO3.
What is the molecular weight of Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate?
The molecular weight of Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate is 223.05 g/mol.
Where can I buy Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate?
You can request a quote for Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.