![3-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine structure](/static/products/6762/676244-53-4.webp)
3-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine
TL;DR: 3-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine (CAS 676244-53-4) is a chemical compound with molecular formula C16H12ClF3N4S and molecular weight 384.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: 3-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine, 3-(4-chlorophenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-4-amine, 3-(4-chlorophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine, 5-(4-chlorophenyl)-3-{[3-(trifluoromethyl)phenyl]methylthio}-1,2,4-triazole-4- ylamine
| Molecular Formula | C16H12ClF3N4S |
|---|---|
| Molecular Weight | 384.04 g/mol |
| LogP | 4.6234 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.04233 |
| Heavy Atoms | 25 |
| Complexity | 877.8315 |
Chemical Identifiers
| CAS Number | 676244-53-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl |
Product Overview
3-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine (CAS 676244-53-4), with molecular formula C16H12ClF3N4S and molecular weight 384.04 g/mol. IUPAC: 3-(4-chlorophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine
Property Insights of 3-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine
The XLogP value of 4.6234 indicates that 3-(4-chlorophenyl)-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. With a topological polar surface area (TPSA) of 56.73 Ų, 3-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine has 1 hydrogen bond donor(s) and 4 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-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
The CAS number of 3-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine is 676244-53-4.
What is the molecular formula of 3-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine is C16H12ClF3N4S.
What is the molecular weight of 3-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine is 384.04 g/mol.
Where can I buy 3-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-(4-chlorophenyl)-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-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-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.