![3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole structure](/static/products/1020/1020252-61-2.webp)
3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
TL;DR: 3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CAS 1020252-61-2) is a chemical compound with molecular formula C13H13F3N2O3S and molecular weight 334.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Also Known As: 3-[(4-propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole, 4-(ISOPROPYL)-1-(((4-(TRIFLUOROMETHYL)(3,2,5-OXADIAZOLYL))METHYL)SULFONYL)BENZENE, 3-{[4-(propan-2-yl)benzenesulfonyl]methyl}-5-(trifluoromethyl)-1,2,4-oxadiazole, 3-[(4-isopropylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole, 3-{[(4-isopropylphenyl)sulfonyl]methyl}-5-(trifluoromethyl)-1,2,4-oxadiazole
| Molecular Formula | C13H13F3N2O3S |
|---|---|
| Molecular Weight | 334.06 g/mol |
| LogP | 3.1857 |
| Topological Polar Surface Area | 73.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.0599 |
| Heavy Atoms | 22 |
| Complexity | 749.58264 |
Chemical Identifiers
| CAS Number | 1020252-61-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)S(=O)(=O)CC2=NOC(=N2)C(F)(F)F |
Product Overview
3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CAS 1020252-61-2), with molecular formula C13H13F3N2O3S and molecular weight 334.06 g/mol. IUPAC: 3-[(4-propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
Chemical Property Profile of 3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Property Insights of 3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
The XLogP value of 3.1857 indicates that 3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 5 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 3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The CAS number of 3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is 1020252-61-2.
What is the molecular formula of 3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The molecular formula of 3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is C13H13F3N2O3S.
What is the molecular weight of 3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The molecular weight of 3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is 334.06 g/mol.
Where can I buy 3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
You can request a quote for 3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-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 3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Propan-2-ylphenyl)sulfonylmethyl]-5-(trifluoromethyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.