![3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine structure](/static/products/6765/676589-31-4.webp)
3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine
TL;DR: 3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine (CAS 676589-31-4) is a chemical compound with molecular formula C18H17F3N4O2S and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: 3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine, 3-(3,4-dimethoxyphenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-4-amine, 3-(3,4-dimethoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine, 5-(3,4-dimethoxyphenyl)-3-{[3-(trifluoromethyl)phenyl]methylthio}-1,2,4-triazo le-4-ylamine
| Molecular Formula | C18H17F3N4O2S |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 3.9872 |
| Topological Polar Surface Area | 75.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.10242 |
| Heavy Atoms | 28 |
| Complexity | 975.70483 |
Chemical Identifiers
| CAS Number | 676589-31-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)C(F)(F)F)OC |
Product Overview
3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine (CAS 676589-31-4), with molecular formula C18H17F3N4O2S and molecular weight 410.10 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine
Property Insights of 3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine
The XLogP value of 3.9872 indicates that 3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine has 1 hydrogen bond donor(s) and 6 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-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
The CAS number of 3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine is 676589-31-4.
What is the molecular formula of 3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine is C18H17F3N4O2S.
What is the molecular weight of 3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine is 410.10 g/mol.
Where can I buy 3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dimethoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.