![4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile structure](/static/products/825/825599-11-9.png)
4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
TL;DR: 4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile (CAS 825599-11-9) is a chemical compound with molecular formula C18H15ClN4S and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-({[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile, 4-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile, 4-(((5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile, 4-({[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio}methyl)benzonitrile, 4-{[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-ylthio]methyl}benzenecarbonitri le
| Molecular Formula | C18H15ClN4S |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 4.78238 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.0706 |
| Heavy Atoms | 24 |
| Complexity | 880.7796 |
Chemical Identifiers
| CAS Number | 825599-11-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC(=CC=C3)Cl |
Product Overview
4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile (CAS 825599-11-9), with molecular formula C18H15ClN4S and molecular weight 354.07 g/mol. IUPAC: 4-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Property Insights of 4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
The XLogP value of 4.78238 indicates that 4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile has 0 hydrogen bond donor(s) and 4 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-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile?
The CAS number of 4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile is 825599-11-9.
What is the molecular formula of 4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile?
The molecular formula of 4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile is C18H15ClN4S.
What is the molecular weight of 4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile?
The molecular weight of 4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile is 354.07 g/mol.
Where can I buy 4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile?
You can request a quote for 4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[[5-(3-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.