![4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile structure](/static/products/849/849006-21-9.png)
4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile
TL;DR: 4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile (CAS 849006-21-9) is a chemical compound with molecular formula C20H20N4OS and molecular weight 364.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile, 4-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile, 4-(((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile, 4-({[4-ethyl-5-(4-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile, 4-({4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-ylthio}methyl)benzenec arbonitrile
| Molecular Formula | C20H20N4OS |
|---|---|
| Molecular Weight | 364.14 g/mol |
| LogP | 4.3494 |
| Topological Polar Surface Area | 63.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.13577 |
| Heavy Atoms | 26 |
| Complexity | 895.0558 |
Chemical Identifiers
| CAS Number | 849006-21-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)COC3=CC=C(C=C3)C |
Product Overview
4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile (CAS 849006-21-9), with molecular formula C20H20N4OS and molecular weight 364.14 g/mol. IUPAC: 4-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile
Property Insights of 4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile
The XLogP value of 4.3494 indicates that 4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-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-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile. Following Lipinski's Rule of Five, 4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile?
The CAS number of 4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile is 849006-21-9.
What is the molecular formula of 4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile?
The molecular formula of 4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile is C20H20N4OS.
What is the molecular weight of 4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile?
The molecular weight of 4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile is 364.14 g/mol.
Where can I buy 4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile?
You can request a quote for 4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-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-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.