(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 714225-41-9) is a chemical compound with molecular formula C20H17N9O4S and molecular weight 479.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]-N-[(E)-(2-nitrophenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]-N-[(E)-(2-nitrophenyl)methylideneamino]triazole-4-carboxamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-N'-[(E)-(2-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C20H17N9O4S |
|---|---|
| Molecular Weight | 479.11 g/mol |
| LogP | 2.50532 |
| Topological Polar Surface Area | 180.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.11243 |
| Heavy Atoms | 34 |
| Complexity | 1364.6385 |
Chemical Identifiers
| CAS Number | 714225-41-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 714225-41-9), with molecular formula C20H17N9O4S and molecular weight 479.11 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]-N-[(E)-(2-nitrophenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.50532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 180.25 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 714225-41-9.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is C20H17N9O4S.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 479.11 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-nitrobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.