![4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole structure](/static/products/879/879443-01-3.png)
4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole
TL;DR: 4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole (CAS 879443-01-3) is a chemical compound with molecular formula C20H16N6O2S and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine
Also Known As: 2-[4-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine, 2-(5-((4-nitrobenzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)pyrazine, 2-[4-(4-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyrazine, 2-{4-(4-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyrazine, 4-(4-methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole
| Molecular Formula | C20H16N6O2S |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 4.23322 |
| Topological Polar Surface Area | 99.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.10553 |
| Heavy Atoms | 29 |
| Complexity | 1128.1174 |
Chemical Identifiers
| CAS Number | 879443-01-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=NC=CN=C4 |
Product Overview
4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole (CAS 879443-01-3), with molecular formula C20H16N6O2S and molecular weight 404.11 g/mol. IUPAC: 2-[4-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine.
Chemical Property Profile of 4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole
Property Insights of 4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole
The XLogP value of 4.23322 indicates that 4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole. Following Lipinski's Rule of Five, 4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole has 0 hydrogen bond donor(s) and 7 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 4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole?
The CAS number of 4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole is 879443-01-3.
What is the molecular formula of 4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole?
The molecular formula of 4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole is C20H16N6O2S.
What is the molecular weight of 4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole?
The molecular weight of 4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole is 404.11 g/mol.
Where can I buy 4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole?
You can request a quote for 4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-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 4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-pyrazin-2-yl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.