![3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine structure](/static/products/6762/676254-48-1.webp)
3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine
TL;DR: 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine (CAS 676254-48-1) is a chemical compound with molecular formula C19H19F3N4O3S and molecular weight 440.113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine
Also Known As: 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine, 3-((3-(trifluoromethyl)benzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine, 3-{[3-(trifluoromethyl)phenyl]methylthio}-5-(3,4,5-trimethoxyphenyl)-1,2,4-tri azole-4-ylamine
Technical Specifications
| Molecular Formula | C19H19F3N4O3S |
| Molecular Weight | 440.113 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.113 Da |
| Heavy Atoms | 30 |
| Complexity | 534.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC3=CC(=CC=C3)C(F)(F)F |
| InChIKey | PQWKMKKBHCIOQU-UHFFFAOYSA-N |
Chemical Property Profile of 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine
Property Insights of 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine
The XLogP value of 4.0 indicates that 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine is 676254-48-1.
What is the molecular formula of 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine is C19H19F3N4O3S.
What is the molecular weight of 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine is 440.113 g/mol.
Where can I buy 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine?
Yes, CoreyChem provides custom synthesis services for 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.