![2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole structure](/static/products/899/899396-87-3.png)
2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
TL;DR: 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole (CAS 899396-87-3) is a chemical compound with molecular formula C21H17N7S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole, 3-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazo le, 2-(((5-(pyrazin-2-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole, 2-({[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-1,3-benzodiazole, 2-({[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
| Molecular Formula | C21H17N7S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 4.20132 |
| Topological Polar Surface Area | 85.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.12662 |
| Heavy Atoms | 29 |
| Complexity | 1226.4495 |
Chemical Identifiers
| CAS Number | 899396-87-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=NC=CN=C5 |
Product Overview
2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole (CAS 899396-87-3), with molecular formula C21H17N7S and molecular weight 399.13 g/mol. IUPAC: 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Property Insights of 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
The XLogP value of 4.20132 indicates that 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole. Following Lipinski's Rule of Five, 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole 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 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole?
The CAS number of 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole is 899396-87-3.
What is the molecular formula of 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole?
The molecular formula of 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole is C21H17N7S.
What is the molecular weight of 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole?
The molecular weight of 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole is 399.13 g/mol.
Where can I buy 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole?
You can request a quote for 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.