5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole
TL;DR: 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole (CAS 120493-21-2) is a chemical compound with molecular formula C6F6N4O2 and molecular weight 273.99255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(trifluoromethyl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole
Also Known As: 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole, 5-(trifluoromethyl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole, 5-(trifluoromethyl)-3-[5-(trifluoromethyl)(1,2,4-oxadiazol-3-yl)]-1,2,4-oxadia zole
Technical Specifications
| Molecular Formula | C6F6N4O2 |
| Molecular Weight | 273.99255 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.99255 Da |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
| SMILES | C1(=NOC(=N1)C(F)(F)F)C2=NOC(=N2)C(F)(F)F |
| InChIKey | UXQICVCFYGAESK-UHFFFAOYSA-N |
Chemical Property Profile of 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole
Property Insights of 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole?
The CAS number of 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole is 120493-21-2.
What is the molecular formula of 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole?
The molecular formula of 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole is C6F6N4O2.
What is the molecular weight of 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole?
The molecular weight of 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole is 273.99255 g/mol.
Where can I buy 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole?
You can request a quote for 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole?
Yes, CoreyChem provides custom synthesis services for 5,5'-bis(trifluoromethyl)-3,3'-bi-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.