![(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide structure](/static/products/714/714247-48-0.png)
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 714247-48-0) is a chemical compound with molecular formula C19H13N9O6 and molecular weight 463.10 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-(1,3-benzodioxol-5-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(3-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]triazole-4-carboxamide
| Molecular Formula | C19H13N9O6 |
|---|---|
| Molecular Weight | 463.10 g/mol |
| LogP | 1.3003 |
| Topological Polar Surface Area | 198.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.09888 |
| Heavy Atoms | 34 |
| Complexity | 1443.7975 |
Chemical Identifiers
| CAS Number | 714247-48-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)N/N=C/C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 714247-48-0), with molecular formula C19H13N9O6 and molecular weight 463.10 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 1.3003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 198.71 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-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)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 12 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)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 714247-48-0.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is C19H13N9O6.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 463.10 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-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)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-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)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(3-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.