![1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene structure](/static/products/861/861650-91-1.png)
1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene
TL;DR: 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene (CAS 861650-91-1) is a chemical compound with molecular formula C24H21N5OS and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene, 2-(((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole, 2-({[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-1,3-benzodiazole, 2-({[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole, 2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
| Molecular Formula | C24H21N5OS |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 5.41992 |
| Topological Polar Surface Area | 68.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.14667 |
| Heavy Atoms | 31 |
| Complexity | 1289.6254 |
Chemical Identifiers
| CAS Number | 861650-91-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)OC |
Product Overview
1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene (CAS 861650-91-1), with molecular formula C24H21N5OS and molecular weight 427.15 g/mol. IUPAC: 2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene
Property Insights of 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene
The XLogP value of 5.41992 indicates that 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene. Following Lipinski's Rule of Five, 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene has 1 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 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene?
The CAS number of 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene is 861650-91-1.
What is the molecular formula of 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene?
The molecular formula of 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene is C24H21N5OS.
What is the molecular weight of 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene?
The molecular weight of 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene is 427.15 g/mol.
Where can I buy 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene?
You can request a quote for 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)(1,2,4-triazol-3-yl)]-4-m ethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.