![2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide structure](/static/products/496/496771-79-0.png)
2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide
TL;DR: 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide (CAS 496771-79-0) 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.
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
Also Known As: 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide, (Z)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-(4-nitrophenyl)ethylidene)acetohydrazide, 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide, N-[(1Z)-2-(4-nitrophenyl)-1-azaprop-1-enyl]-2-[5-(4-chlorophenyl)-4-ethyl(1,2, 4-triazol-3-ylthio)]acetamide
| Molecular Formula | C20H19ClN6O3S |
|---|---|
| Molecular Weight | 458.09 g/mol |
| LogP | 4.1591 |
| 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 | 1112.9487 |
Chemical Identifiers
| CAS Number | 496771-79-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C(/C)\C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl |
Product Overview
2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide (CAS 496771-79-0), with molecular formula C20H19ClN6O3S and molecular weight 458.09 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide.
Chemical Property Profile of 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide
Property Insights of 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide
The XLogP value of 4.1591 indicates that 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]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 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]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 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide?
The CAS number of 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide is 496771-79-0.
What is the molecular formula of 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide?
The molecular formula of 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide is C20H19ClN6O3S.
What is the molecular weight of 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide?
The molecular weight of 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide is 458.09 g/mol.
Where can I buy 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide?
You can request a quote for 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.