![Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfide structure](/static/products/3390/339099-65-9.webp)
Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfide
TL;DR: Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfide (CAS 339099-65-9) is a chemical compound with molecular formula C16H11F3N2OS and molecular weight 336.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Also Known As: 8L-502S, 5-[2-(methylsulfanyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole, methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfide, 5-(2-methylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
| Molecular Formula | C16H11F3N2OS |
|---|---|
| Molecular Weight | 336.05 g/mol |
| LogP | 5.1443 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.0544 |
| Heavy Atoms | 23 |
| Complexity | 812.6927 |
Chemical Identifiers
| CAS Number | 339099-65-9 |
|---|---|
| SMILES | CSC1=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 sulfide (CAS 339099-65-9), with molecular formula C16H11F3N2OS and molecular weight 336.05 g/mol. IUPAC: 5-(2-methylsulfanylphenyl)-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 sulfide
Property Insights of Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfide
The XLogP value of 5.1443 indicates that Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.92 Ų, Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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 sulfide?
The CAS number of Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfide is 339099-65-9.
What is the molecular formula of Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfide?
The molecular formula of Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfide is C16H11F3N2OS.
What is the molecular weight of Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfide?
The molecular weight of Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfide is 336.05 g/mol.
Where can I buy Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfide?
You can request a quote for Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfide 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 sulfide?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.