(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-chloro-3-nitrobenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-chloro-3-nitrobenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 714232-82-3) is a chemical compound with molecular formula C18H11ClN10O6 and molecular weight 498.06 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)-(4-chloro-3-nitrophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-chloro-3-nitrobenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-chloro-3-nitrophenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
| Molecular Formula | C18H11ClN10O6 |
|---|---|
| Molecular Weight | 498.06 g/mol |
| LogP | 2.1332 |
| Topological Polar Surface Area | 223.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.05515 |
| Heavy Atoms | 35 |
| Complexity | 1479.4244 |
Chemical Identifiers
| CAS Number | 714232-82-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC(=C(C=C4)Cl)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-chloro-3-nitrobenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 714232-82-3), with molecular formula C18H11ClN10O6 and molecular weight 498.06 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-chloro-3-nitrobenzylidene)-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-chloro-3-nitrobenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.1332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-chloro-3-nitrobenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 223.39 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-chloro-3-nitrobenzylidene)-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-chloro-3-nitrobenzylidene)-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'-(4-chloro-3-nitrobenzylidene)-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-chloro-3-nitrobenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide is 714232-82-3.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-chloro-3-nitrobenzylidene)-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-chloro-3-nitrobenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide is C18H11ClN10O6.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-chloro-3-nitrobenzylidene)-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-chloro-3-nitrobenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide is 498.06 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-chloro-3-nitrobenzylidene)-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-chloro-3-nitrobenzylidene)-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-chloro-3-nitrobenzylidene)-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-chloro-3-nitrobenzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.