![3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole structure](/static/products/896/896847-78-2.png)
3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole
TL;DR: 3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole (CAS 896847-78-2) is a chemical compound with molecular formula C24H24N4S and molecular weight 400.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
Also Known As: 2-(5-((4-(tert-butyl)benzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine, 2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine, 2-[4-phenyl-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine, 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine, 2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine
| Molecular Formula | C24H24N4S |
|---|---|
| Molecular Weight | 400.17 g/mol |
| LogP | 5.9191 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.17218 |
| Heavy Atoms | 29 |
| Complexity | 1065.581 |
Chemical Identifiers
| CAS Number | 896847-78-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=N4 |
Product Overview
3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole (CAS 896847-78-2), with molecular formula C24H24N4S and molecular weight 400.17 g/mol. IUPAC: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole
Property Insights of 3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole
The XLogP value of 5.9191 indicates that 3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole 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-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole?
The CAS number of 3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole is 896847-78-2.
What is the molecular formula of 3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole?
The molecular formula of 3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole is C24H24N4S.
What is the molecular weight of 3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole?
The molecular weight of 3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole is 400.17 g/mol.
Where can I buy 3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole?
You can request a quote for 3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-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-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(Tert-butyl)phenyl]methylthio}-4-phenyl-5-(2-pyridyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.