(E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide
TL;DR: (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide (CAS 489422-86-8) is a chemical compound with molecular formula C21H19ClN6O3S and molecular weight 470.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
Also Known As: (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide, [5-(4-Chloro-phenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid [(E)-3-(2-nitro-phenyl)-prop-2-en-(E)-ylidene]-hydrazide, 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
| Molecular Formula | C21H19ClN6O3S |
|---|---|
| Molecular Weight | 470.09 g/mol |
| LogP | 4.4341 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.09277 |
| Heavy Atoms | 32 |
| Complexity | 1160.5966 |
Chemical Identifiers
| CAS Number | 489422-86-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C=C/C2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)Cl |
Product Overview
(E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide (CAS 489422-86-8), with molecular formula C21H19ClN6O3S and molecular weight 470.09 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide.
Chemical Property Profile of (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide
Property Insights of (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide
The XLogP value of 4.4341 indicates that (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)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)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)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)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide?
The CAS number of (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide is 489422-86-8.
What is the molecular formula of (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide?
The molecular formula of (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide is C21H19ClN6O3S.
What is the molecular weight of (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide?
The molecular weight of (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide is 470.09 g/mol.
Where can I buy (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide?
You can request a quote for (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.