4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile
TL;DR: 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile (CAS 900261-80-5) is a chemical compound with molecular formula C25H22N4OS and molecular weight 426.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile, 4-(4-p-Tolyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile, 4-({[5-(4-methylphenoxymethyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile, 4-({4-(4-methylphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-ylthio}meth yl)benzenecarbonitrile, 4-[({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
| Molecular Formula | C25H22N4OS |
|---|---|
| Molecular Weight | 426.15 g/mol |
| LogP | 5.62712 |
| Topological Polar Surface Area | 63.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.15143 |
| Heavy Atoms | 31 |
| Complexity | 1190.5082 |
Chemical Identifiers
| CAS Number | 900261-80-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)COC4=CC=C(C=C4)C |
Product Overview
4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile (CAS 900261-80-5), with molecular formula C25H22N4OS and molecular weight 426.15 g/mol. IUPAC: 4-[[5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile
Property Insights of 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile
The XLogP value of 5.62712 indicates that 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile. Following Lipinski's Rule of Five, 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile has 0 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 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
The CAS number of 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile is 900261-80-5.
What is the molecular formula of 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
The molecular formula of 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile is C25H22N4OS.
What is the molecular weight of 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
The molecular weight of 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile is 426.15 g/mol.
Where can I buy 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
You can request a quote for 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.