3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
TL;DR: 3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole (CAS 1023845-27-3) is a chemical compound with molecular formula C10H7F3N2O3S and molecular weight 292.01294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
Also Known As: 3-(benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole, (((4-(TRIFLUOROMETHYL)-3,2,5-OXADIAZOLYL)METHYL)SULFONYL)BENZENE, 3-[(benzenesulfonyl)methyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Technical Specifications
| Molecular Formula | C10H7F3N2O3S |
| Molecular Weight | 292.01294 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.01294 Da |
| Heavy Atoms | 19 |
| Complexity | 401.0 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC2=NOC(=N2)C(F)(F)F |
| InChIKey | XRDYLOMZZGCVMY-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
Property Insights of 3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The CAS number of 3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole is 1023845-27-3.
What is the molecular formula of 3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The molecular formula of 3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole is C10H7F3N2O3S.
What is the molecular weight of 3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The molecular weight of 3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole is 292.01294 g/mol.
Where can I buy 3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
You can request a quote for 3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
Yes, CoreyChem provides custom synthesis services for 3-(Benzenesulfonylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.