(E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
TL;DR: (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 488715-87-3) is a chemical compound with molecular formula C20H19ClN6O3S and molecular weight 458.09 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-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C20H19ClN6O3S |
|---|---|
| Molecular Weight | 458.09 g/mol |
| LogP | 4.07742 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.09277 |
| Heavy Atoms | 31 |
| Complexity | 1130.4438 |
Chemical Identifiers
| CAS Number | 488715-87-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)C |
Product Overview
(E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 488715-87-3), with molecular formula C20H19ClN6O3S and molecular weight 458.09 g/mol. IUPAC: N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
Property Insights of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
The XLogP value of 4.07742 indicates that (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-ethyl-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-ethyl-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-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide has 1 hydrogen bond donor(s) and 7 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 (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The CAS number of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 488715-87-3.
What is the molecular formula of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular formula of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is C20H19ClN6O3S.
What is the molecular weight of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular weight of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 458.09 g/mol.
Where can I buy (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4-ethyl-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-ethyl-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-ethyl-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-ethyl-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.