![1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene structure](/static/products/848/848986-59-4.png)
1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene
TL;DR: 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene (CAS 848986-59-4) is a chemical compound with molecular formula C25H23N5O2S and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene, 2-(((4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole, 2-({[4-(4-methoxyphenyl)-5-(4-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-1,3-benzodiazole, 2-[({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-benzimidazole, 2-[[4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
| Molecular Formula | C25H23N5O2S |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 5.33192 |
| Topological Polar Surface Area | 77.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.15726 |
| Heavy Atoms | 33 |
| Complexity | 1327.1149 |
Chemical Identifiers
| CAS Number | 848986-59-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=NC5=CC=CC=C5N4 |
Product Overview
1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene (CAS 848986-59-4), with molecular formula C25H23N5O2S and molecular weight 457.16 g/mol. IUPAC: 2-[[4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene
Property Insights of 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene
The XLogP value of 5.33192 indicates that 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene. Following Lipinski's Rule of Five, 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene has 1 hydrogen bond donor(s) and 6 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-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene?
The CAS number of 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene is 848986-59-4.
What is the molecular formula of 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene?
The molecular formula of 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene is C25H23N5O2S.
What is the molecular weight of 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene?
The molecular weight of 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene is 457.16 g/mol.
Where can I buy 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene?
You can request a quote for 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene 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-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.