(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide (CAS 488746-04-9) is a chemical compound with molecular formula C20H15Cl2N9O5 and molecular weight 531.06 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)-[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-5-methyltriazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{2-[(2,6-dichlorobenzyl)oxy]-5-nitrophenyl}methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-5-methyltriazole-4-carboxamide
| Molecular Formula | C20H15Cl2N9O5 |
|---|---|
| Molecular Weight | 531.06 g/mol |
| LogP | 3.09882 |
| Topological Polar Surface Area | 189.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.0573 |
| Heavy Atoms | 36 |
| Complexity | 1463.9913 |
Chemical Identifiers
| CAS Number | 488746-04-9 |
|---|---|
| SMILES | CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])OCC4=C(C=CC=C4Cl)Cl |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide (CAS 488746-04-9), with molecular formula C20H15Cl2N9O5 and molecular weight 531.06 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-5-methyltriazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 3.09882 indicates that (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.48 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-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-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-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-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide is 488746-04-9.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide is C20H15Cl2N9O5.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide is 531.06 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-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-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-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-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-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-((2,6-dichlorobenzyl)oxy)-5-nitrobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.