![Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone structure](/static/products/3390/339099-86-4.webp)
Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone
TL;DR: Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone (CAS 339099-86-4) is a chemical compound with molecular formula C16H11F3N2O3S and molecular weight 368.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Also Known As: Bionet1_002349, 8L-511S, methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone, 5-(2-methanesulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole, 5-(2-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
| Molecular Formula | C16H11F3N2O3S |
|---|---|
| Molecular Weight | 368.04 g/mol |
| LogP | 3.8259 |
| Topological Polar Surface Area | 73.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.04425 |
| Heavy Atoms | 25 |
| Complexity | 1009.60425 |
Chemical Identifiers
| CAS Number | 339099-86-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=CC=C1C2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone (CAS 339099-86-4), with molecular formula C16H11F3N2O3S and molecular weight 368.04 g/mol. IUPAC: 5-(2-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
Chemical Property Profile of Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone
Property Insights of Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone
The XLogP value of 3.8259 indicates that Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone 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 Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone. Following Lipinski's Rule of Five, Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone 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 Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone?
The CAS number of Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone is 339099-86-4.
What is the molecular formula of Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone?
The molecular formula of Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone is C16H11F3N2O3S.
What is the molecular weight of Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone?
The molecular weight of Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone is 368.04 g/mol.
Where can I buy Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone?
You can request a quote for Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.