Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate
TL;DR: Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate (CAS 654-85-3) 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 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
Also Known As: NCI60_005123, Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate, 4-Oxazolecarboxylic acid, 2-methyl-5-(trifluoromethyl)-, ethyl ester, ethyl 2-methyl-5-(trifluoromethyl)oxazole-4-carboxylate, ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
| Molecular Formula | C8H8F3NO3 |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.04562 |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 654-85-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=N1)C)C(F)(F)F |
| InChIKey | LZPNPKUTEBIRPQ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate (CAS 654-85-3), with molecular formula C8H8F3NO3 and molecular weight 223.05 g/mol. IUPAC: ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate.
Chemical Property Profile of Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate
Property Insights of Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate?
The CAS number of Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate is 654-85-3.
What is the molecular formula of Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate?
The molecular formula of Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate is C8H8F3NO3.
What is the molecular weight of Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate?
The molecular weight of Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate is 223.05 g/mol.
Where can I buy Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate?
You can request a quote for Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.