(E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide
TL;DR: (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide (CAS 612827-08-4) is a chemical compound with molecular formula C24H20N6O4S and molecular weight 488.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
Also Known As: (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide, 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide, 2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide, N-[(1E)-2-(3-nitrophenyl)-1-azavinyl]-2-[4-(4-methoxyphenyl)-5-phenyl(1,2,4-tr iazol-3-ylthio)]acetamide
| Molecular Formula | C24H20N6O4S |
|---|---|
| Molecular Weight | 488.13 g/mol |
| LogP | 4.0935 |
| Topological Polar Surface Area | 124.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 488.12668 |
| Heavy Atoms | 35 |
| Complexity | 1356.2092 |
Chemical Identifiers
| CAS Number | 612827-08-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
(E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide (CAS 612827-08-4), with molecular formula C24H20N6O4S and molecular weight 488.13 g/mol. IUPAC: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide
Property Insights of (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide
The XLogP value of 4.0935 indicates that (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide has 1 hydrogen bond donor(s) and 8 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-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide?
The CAS number of (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide is 612827-08-4.
What is the molecular formula of (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide?
The molecular formula of (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide is C24H20N6O4S.
What is the molecular weight of (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide?
The molecular weight of (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide is 488.13 g/mol.
Where can I buy (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide?
You can request a quote for (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)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-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.