}-4-methoxybenzene structure](/static/products/843/843623-71-2.png)
1-{3-(benzimidazol-2-ylmethylthio)-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene
TL;DR: 1-{3-(benzimidazol-2-ylmethylthio)-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene (CAS 843623-71-2) is a chemical compound with molecular formula C27H27N5OS and molecular weight 469.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: 1-{3-(benzimidazol-2-ylmethylthio)-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene, 2-(((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole, 2-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-1,3-benzodiazole, 2-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole, 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
| Molecular Formula | C27H27N5OS |
|---|---|
| Molecular Weight | 469.19 g/mol |
| LogP | 6.409 |
| Topological Polar Surface Area | 68.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.19363 |
| Heavy Atoms | 34 |
| Complexity | 1379.4749 |
Chemical Identifiers
| CAS Number | 843623-71-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=NC5=CC=CC=C5N4 |
Product Overview
1-{3-(benzimidazol-2-ylmethylthio)-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene (CAS 843623-71-2), with molecular formula C27H27N5OS and molecular weight 469.19 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 1-{3-(benzimidazol-2-ylmethylthio)-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene
Property Insights of 1-{3-(benzimidazol-2-ylmethylthio)-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene
The XLogP value of 6.409 indicates that 1-{3-(benzimidazol-2-ylmethylthio)-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene 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-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene. Following Lipinski's Rule of Five, 1-{3-(benzimidazol-2-ylmethylthio)-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene 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-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene?
The CAS number of 1-{3-(benzimidazol-2-ylmethylthio)-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene is 843623-71-2.
What is the molecular formula of 1-{3-(benzimidazol-2-ylmethylthio)-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene?
The molecular formula of 1-{3-(benzimidazol-2-ylmethylthio)-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene is C27H27N5OS.
What is the molecular weight of 1-{3-(benzimidazol-2-ylmethylthio)-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene?
The molecular weight of 1-{3-(benzimidazol-2-ylmethylthio)-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene is 469.19 g/mol.
Where can I buy 1-{3-(benzimidazol-2-ylmethylthio)-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene?
You can request a quote for 1-{3-(benzimidazol-2-ylmethylthio)-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene 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-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-{3-(benzimidazol-2-ylmethylthio)-5-[4-(tert-butyl)phenyl](1,2,4-triazol-4-yl )}-4-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.