![1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene structure](/static/products/861/861652-26-8.png)
1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene
TL;DR: 1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene (CAS 861652-26-8) is a chemical compound with molecular formula C24H20ClN5OS and molecular weight 461.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: 1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene, 2-(((5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole, 2-({[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole, 2-[[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole, 2-[[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzoimidazole
| Molecular Formula | C24H20ClN5OS |
|---|---|
| Molecular Weight | 461.11 g/mol |
| LogP | 6.155 |
| Topological Polar Surface Area | 68.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.1077 |
| Heavy Atoms | 32 |
| Complexity | 1312.3625 |
Chemical Identifiers
| CAS Number | 861652-26-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)Cl |
Product Overview
1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene (CAS 861652-26-8), with molecular formula C24H20ClN5OS and molecular weight 461.11 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene
Property Insights of 1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene
The XLogP value of 6.155 indicates that 1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene 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-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene. Following Lipinski's Rule of Five, 1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene 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-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene?
The CAS number of 1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene is 861652-26-8.
What is the molecular formula of 1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene?
The molecular formula of 1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene is C24H20ClN5OS.
What is the molecular weight of 1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene?
The molecular weight of 1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene is 461.11 g/mol.
Where can I buy 1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene?
You can request a quote for 1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene 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-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)(1,2,4-triazol-4-yl)]-4-e thoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.