Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate
TL;DR: Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate (CAS 157951-14-9) is a chemical compound with molecular formula C10H10F3NO5 and molecular weight 281.05112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate
Also Known As: diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate, 3G-907, diethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate, 3,4-diethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate
Technical Specifications
| Molecular Formula | C10H10F3NO5 |
| Molecular Weight | 281.05112 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 78.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.05112 Da |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
| SMILES | CCOC(=O)C1=C(ON=C1C(=O)OCC)C(F)(F)F |
| InChIKey | VOPYEGXMBZZBFY-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate
Property Insights of Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate. Following Lipinski's Rule of Five, Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate?
The CAS number of Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate is 157951-14-9.
What is the molecular formula of Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate?
The molecular formula of Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate is C10H10F3NO5.
What is the molecular weight of Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate?
The molecular weight of Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate is 281.05112 g/mol.
Where can I buy Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate?
You can request a quote for Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate?
Yes, CoreyChem provides custom synthesis services for Diethyl 5-(trifluoromethyl)-3,4-isoxazoledicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.