(E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
TL;DR: (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 497950-26-2) is a chemical compound with molecular formula C24H18Cl2N6O3S and molecular weight 540.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, N-[(1E)-2-(2-chloro-5-nitrophenyl)-1-azavinyl]-2-[4-(4-chlorophenyl)-5-(4-meth ylphenyl)(1,2,4-triazol-3-ylthio)]acetamide, N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C24H18Cl2N6O3S |
|---|---|
| Molecular Weight | 540.05 g/mol |
| LogP | 5.70012 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.05383 |
| Heavy Atoms | 36 |
| Complexity | 1439.4948 |
Chemical Identifiers
| CAS Number | 497950-26-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)N/N=C/C4=C(C=CC(=C4)[N+](=O)[O-])Cl |
Product Overview
(E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 497950-26-2), with molecular formula C24H18Cl2N6O3S and molecular weight 540.05 g/mol. IUPAC: N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
Property Insights of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
The XLogP value of 5.70012 indicates that (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-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 115.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide has 1 hydrogen bond donor(s) and 7 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-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The CAS number of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 497950-26-2.
What is the molecular formula of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular formula of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is C24H18Cl2N6O3S.
What is the molecular weight of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular weight of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 540.05 g/mol.
Where can I buy (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
You can request a quote for (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-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-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-(4-chlorophenyl)-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.