(E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
TL;DR: (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 488131-89-1) is a chemical compound with molecular formula C21H21ClN6O5S and molecular weight 504.10 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-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, N-[(1E)-2-(2-chloro-5-nitrophenyl)-1-azavinyl]-2-[5-(3,4-dimethoxyphenyl)-4-et hyl(1,2,4-triazol-3-ylthio)]acetamide, N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C21H21ClN6O5S |
|---|---|
| Molecular Weight | 504.10 g/mol |
| LogP | 3.7862 |
| Topological Polar Surface Area | 133.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 504.09827 |
| Heavy Atoms | 34 |
| Complexity | 1232.3582 |
Chemical Identifiers
| CAS Number | 488131-89-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC(=C(C=C3)OC)OC |
Product Overview
(E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 488131-89-1), with molecular formula C21H21ClN6O5S and molecular weight 504.10 g/mol. IUPAC: N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
Property Insights of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
The XLogP value of 3.7862 indicates that (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-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 133.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide has 1 hydrogen bond donor(s) and 9 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-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The CAS number of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 488131-89-1.
What is the molecular formula of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular formula of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is C21H21ClN6O5S.
What is the molecular weight of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular weight of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 504.10 g/mol.
Where can I buy (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
You can request a quote for (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-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-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.