![3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole structure](/static/products/6764/676458-76-7.webp)
3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
TL;DR: 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole (CAS 676458-76-7) is a chemical compound with molecular formula C15H12F3N3OS and molecular weight 339.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
Also Known As: 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole, 3-(furan-2-yl)-4-methyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole, 3-(furan-2-yl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole, 3-(furan-2-yl)-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
| Molecular Formula | C15H12F3N3OS |
|---|---|
| Molecular Weight | 339.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.0653 |
| Heavy Atoms | 23 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 676458-76-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)C3=CC=CO3 |
| InChIKey | SQOWCARFNJILJL-UHFFFAOYSA-N |
Product Overview
3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole (CAS 676458-76-7), with molecular formula C15H12F3N3OS and molecular weight 339.07 g/mol. IUPAC: 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
Property Insights of 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
The XLogP value of 3.4 indicates that 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole has 0 hydrogen bond donor(s) and 7 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-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole?
The CAS number of 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole is 676458-76-7.
What is the molecular formula of 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole?
The molecular formula of 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole is C15H12F3N3OS.
What is the molecular weight of 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole?
The molecular weight of 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole is 339.07 g/mol.
Where can I buy 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole?
You can request a quote for 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(furan-2-yl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.