(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-isopropylbenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-isopropylbenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 573941-77-2) is a chemical compound with molecular formula C21H19N9O4 and molecular weight 461.16 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-nitrophenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-isopropylbenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]triazole-4-carboxamide
| Molecular Formula | C21H19N9O4 |
|---|---|
| Molecular Weight | 461.16 g/mol |
| LogP | 2.695 |
| Topological Polar Surface Area | 180.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.156 |
| Heavy Atoms | 34 |
| Complexity | 1355.9092 |
Chemical Identifiers
| CAS Number | 573941-77-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/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'-(4-isopropylbenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 573941-77-2), with molecular formula C21H19N9O4 and molecular weight 461.16 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-isopropylbenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-isopropylbenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-isopropylbenzylidene)-5-(4-nitrophenyl)-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'-(4-isopropylbenzylidene)-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'-(4-isopropylbenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 10 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)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-isopropylbenzylidene)-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'-(4-isopropylbenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide is 573941-77-2.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-isopropylbenzylidene)-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'-(4-isopropylbenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide is C21H19N9O4.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-isopropylbenzylidene)-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'-(4-isopropylbenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide is 461.16 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-isopropylbenzylidene)-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'-(4-isopropylbenzylidene)-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'-(4-isopropylbenzylidene)-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'-(4-isopropylbenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.