2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole
TL;DR: 2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole (CAS 81863-71-0) is a chemical compound with molecular formula C24H20ClN5S2 and molecular weight 477.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenyl)sulfanylmethyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: 2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole, 2-[[5-[(4-chlorophenyl)sulfanylmethyl]-4-(4-methylphenyl)-1,, 2-[[5-[(4-chlorophenyl)sulfanylmethyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole, 1H-Benzimidazole,2-[[[5-[[(4-chlorophenyl)thio]methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-, 2-({[5-{[(4-Chlorophenyl)sulfanyl]methyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-1,3-benzimidazole
| Molecular Formula | C24H20ClN5S2 |
|---|---|
| Molecular Weight | 477.08 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.08487 |
| Heavy Atoms | 32 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 81863-71-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)CSC5=CC=C(C=C5)Cl |
| InChIKey | GYLNSXPBNROJQU-UHFFFAOYSA-N |
Product Overview
2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole (CAS 81863-71-0), with molecular formula C24H20ClN5S2 and molecular weight 477.08 g/mol. IUPAC: 2-[[5-[(4-chlorophenyl)sulfanylmethyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole
Property Insights of 2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole
The XLogP value of 6.1 indicates that 2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole. Following Lipinski's Rule of Five, 2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole 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 2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole?
The CAS number of 2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole is 81863-71-0.
What is the molecular formula of 2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole?
The molecular formula of 2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole is C24H20ClN5S2.
What is the molecular weight of 2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole?
The molecular weight of 2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole is 477.08 g/mol.
Where can I buy 2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole?
You can request a quote for 2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-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-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(((5-(((4-Chlorophenyl)thio)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.