![2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide structure](/static/products/314/314288-07-8.png)
2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide
TL;DR: 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide (CAS 314288-07-8) is a chemical compound with molecular formula C25H22N6O3S and molecular weight 486.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
Also Known As: 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide, (E)-N'-(1-(3-nitrophenyl)ethylidene)-2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}-N'-[(E)-1-(3-nitrophenyl)ethylidene]acetohydrazide
| Molecular Formula | C25H22N6O3S |
|---|---|
| Molecular Weight | 486.15 g/mol |
| LogP | 4.78342 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.1474 |
| Heavy Atoms | 35 |
| Complexity | 1384.0997 |
Chemical Identifiers
| CAS Number | 314288-07-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C(\C)/C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide (CAS 314288-07-8), with molecular formula C25H22N6O3S and molecular weight 486.15 g/mol. IUPAC: 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide.
Chemical Property Profile of 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide
Property Insights of 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide
The XLogP value of 4.78342 indicates that 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-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-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-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-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide?
The CAS number of 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide is 314288-07-8.
What is the molecular formula of 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide?
The molecular formula of 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide is C25H22N6O3S.
What is the molecular weight of 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide?
The molecular weight of 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide is 486.15 g/mol.
Where can I buy 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide?
You can request a quote for 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-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-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.