![1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene structure](/static/products/900/900284-49-3.png)
1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene
TL;DR: 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene (CAS 900284-49-3) is a chemical compound with molecular formula C22H18N6OS and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene, 2-(((4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole, 2-({[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-1,3-benzodiazole, 2-({[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole, 2-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
| Molecular Formula | C22H18N6OS |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 4.5065 |
| Topological Polar Surface Area | 81.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.12628 |
| Heavy Atoms | 30 |
| Complexity | 1247.2529 |
Chemical Identifiers
| CAS Number | 900284-49-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC=CC=N5 |
Product Overview
1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene (CAS 900284-49-3), with molecular formula C22H18N6OS and molecular weight 414.13 g/mol. IUPAC: 2-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene
Property Insights of 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene
The XLogP value of 4.5065 indicates that 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene. Following Lipinski's Rule of Five, 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene 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 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene?
The CAS number of 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene is 900284-49-3.
What is the molecular formula of 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene?
The molecular formula of 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene is C22H18N6OS.
What is the molecular weight of 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene?
The molecular weight of 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene is 414.13 g/mol.
Where can I buy 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene?
You can request a quote for 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(benzimidazol-2-ylmethylthio)-5-(2-pyridyl)(1,2,4-triazol-4-yl)]-4-methox ybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.