(E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
TL;DR: (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 497169-22-9) is a chemical compound with molecular formula C24H25ClFN5OS and molecular weight 485.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[4-cyclohexyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, N-[(1E)-2-(2-chloro-6-fluorophenyl)-1-azavinyl]-2-[4-cyclohexyl-5-(4-methylphe nyl)(1,2,4-triazol-3-ylthio)]acetamide, N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[4-cyclohexyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C24H25ClFN5OS |
|---|---|
| Molecular Weight | 485.15 g/mol |
| LogP | 5.79362 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.14523 |
| Heavy Atoms | 33 |
| Complexity | 1122.0063 |
Chemical Identifiers
| CAS Number | 497169-22-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)N/N=C/C4=C(C=CC=C4Cl)F |
Product Overview
(E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 497169-22-9), with molecular formula C24H25ClFN5OS and molecular weight 485.15 g/mol. IUPAC: N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[4-cyclohexyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
Property Insights of (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
The XLogP value of 5.79362 indicates that (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide 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 (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The CAS number of (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 497169-22-9.
What is the molecular formula of (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular formula of (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is C24H25ClFN5OS.
What is the molecular weight of (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular weight of (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 485.15 g/mol.
Where can I buy (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
You can request a quote for (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(2-chloro-6-fluorobenzylidene)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.