![3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole structure](/static/products/3390/339099-68-2.webp)
3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole
TL;DR: 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole (CAS 339099-68-2) is a chemical compound with molecular formula C17H10F6N2OS and molecular weight 404.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,5-bis(trifluoromethyl)phenyl]-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole
Also Known As: 8L-503S, 3-[3,5-bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole, 3-[3,5-bis(trifluoromethyl)phenyl]-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole
| Molecular Formula | C17H10F6N2OS |
|---|---|
| Molecular Weight | 404.04 g/mol |
| LogP | 6.1631 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.0418 |
| Heavy Atoms | 27 |
| Complexity | 932.29285 |
Chemical Identifiers
| CAS Number | 339099-68-2 |
|---|---|
| SMILES | CSC1=CC=CC=C1C2=NC(=NO2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
Product Overview
3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole (CAS 339099-68-2), with molecular formula C17H10F6N2OS and molecular weight 404.04 g/mol. IUPAC: 3-[3,5-bis(trifluoromethyl)phenyl]-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole
Property Insights of 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole
The XLogP value of 6.1631 indicates that 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.92 Ų, 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole 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 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole?
The CAS number of 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole is 339099-68-2.
What is the molecular formula of 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole?
The molecular formula of 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole is C17H10F6N2OS.
What is the molecular weight of 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole?
The molecular weight of 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole is 404.04 g/mol.
Where can I buy 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole?
You can request a quote for 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-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-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.