2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine
TL;DR: 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine (CAS 899388-18-2) is a chemical compound with molecular formula C24H25N5S and molecular weight 415.18 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-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine
Also Known As: 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine, 2-[4-(4-methylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine, 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine, 2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}pyrazine, 3-{[4-(tert-butyl)phenyl]methylthio}-4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-t riazole
| Molecular Formula | C24H25N5S |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 5.62252 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.18307 |
| Heavy Atoms | 30 |
| Complexity | 1111.2324 |
Chemical Identifiers
| CAS Number | 899388-18-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=NC=CN=C4 |
Product Overview
2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine (CAS 899388-18-2), with molecular formula C24H25N5S and molecular weight 415.18 g/mol. IUPAC: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine.
Chemical Property Profile of 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine
Property Insights of 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine
The XLogP value of 5.62252 indicates that 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine?
The CAS number of 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine is 899388-18-2.
What is the molecular formula of 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine?
The molecular formula of 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine is C24H25N5S.
What is the molecular weight of 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine?
The molecular weight of 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine is 415.18 g/mol.
Where can I buy 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine?
You can request a quote for 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-((4-(tert-butyl)benzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.