![{[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene structure](/static/products/896/896806-78-3.png)
{[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene
TL;DR: {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene (CAS 896806-78-3) is a chemical compound with molecular formula C23H18ClN5OS and molecular weight 447.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene, 2-(((4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole, 2-({[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-1,3-benzodiazole, 2-({[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole, 2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
| Molecular Formula | C23H18ClN5OS |
|---|---|
| Molecular Weight | 447.09 g/mol |
| LogP | 5.6683 |
| Topological Polar Surface Area | 68.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.09207 |
| Heavy Atoms | 31 |
| Complexity | 1267.8258 |
Chemical Identifiers
| CAS Number | 896806-78-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=NC5=CC=CC=C5N4 |
Product Overview
{[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene (CAS 896806-78-3), with molecular formula C23H18ClN5OS and molecular weight 447.09 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene
Property Insights of {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene
The XLogP value of 5.6683 indicates that {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene 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 {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene. Following Lipinski's Rule of Five, {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene 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 {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene?
The CAS number of {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene is 896806-78-3.
What is the molecular formula of {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene?
The molecular formula of {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene is C23H18ClN5OS.
What is the molecular weight of {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene?
The molecular weight of {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene is 447.09 g/mol.
Where can I buy {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene?
You can request a quote for {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene?
Yes, KEHONG BIO provides custom synthesis services for {[5-(benzimidazol-2-ylmethylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methox y}benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.