(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 587001-91-0) is a chemical compound with molecular formula C20H17N9O6 and molecular weight 479.13 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)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
| Molecular Formula | C20H17N9O6 |
|---|---|
| Molecular Weight | 479.13 g/mol |
| LogP | 1.5888 |
| Topological Polar Surface Area | 198.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.1302 |
| Heavy Atoms | 35 |
| Complexity | 1410.9689 |
Chemical Identifiers
| CAS Number | 587001-91-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 587001-91-0), with molecular formula C20H17N9O6 and molecular weight 479.13 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 1.5888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-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)-N'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-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'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-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)-N'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide is 587001-91-0.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide is C20H17N9O6.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide is 479.13 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-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'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-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'-(2,5-dimethoxybenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.