![5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole structure](/static/products/2590/259089-70-8.webp)
5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole
TL;DR: 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole (CAS 259089-70-8) is a chemical compound with molecular formula C18H16ClF3N2O4S and molecular weight 448.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(tert-butylsulfonylmethyl)-5-[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole
Also Known As: 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole, 3-(tert-butylsulfonylmethyl)-5-[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole
| Molecular Formula | C18H16ClF3N2O4S |
|---|---|
| Molecular Weight | 448.05 g/mol |
| LogP | 5.3821 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.04715 |
| Heavy Atoms | 29 |
| Complexity | 1127.3057 |
Chemical Identifiers
| CAS Number | 259089-70-8 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)CC1=NOC(=N1)C2=C(OC(=C2)C3=CC=C(C=C3)Cl)C(F)(F)F |
Product Overview
5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole (CAS 259089-70-8), with molecular formula C18H16ClF3N2O4S and molecular weight 448.05 g/mol. IUPAC: 3-(tert-butylsulfonylmethyl)-5-[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole.
Chemical Property Profile of 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole
Property Insights of 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole
The XLogP value of 5.3821 indicates that 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole?
The CAS number of 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole is 259089-70-8.
What is the molecular formula of 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole?
The molecular formula of 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole is C18H16ClF3N2O4S.
What is the molecular weight of 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole?
The molecular weight of 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole is 448.05 g/mol.
Where can I buy 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole?
You can request a quote for 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-3-[[(1,1-dimethylethyl)sulfonyl]methyl]-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.