(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 577983-16-5) is a chemical compound with molecular formula C23H24FN9O4 and molecular weight 509.19 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-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(dimethylaminomethyl)-N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]triazole-4-carboxamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-{2-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}methylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C23H24FN9O4 |
|---|---|
| Molecular Weight | 509.19 g/mol |
| LogP | 1.7847 |
| Topological Polar Surface Area | 158.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 509.19354 |
| Heavy Atoms | 37 |
| Complexity | 1399.7251 |
Chemical Identifiers
| CAS Number | 577983-16-5 |
|---|---|
| SMILES | CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=C(C(=CC=C3)OC)OCC4=CC=C(C=C4)F |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 577983-16-5), with molecular formula C23H24FN9O4 and molecular weight 509.19 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 1.7847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 158.81 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-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-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-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)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 577983-16-5.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is C23H24FN9O4.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 509.19 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-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-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-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-((dimethylamino)methyl)-N'-(2-((4-fluorobenzyl)oxy)-3-methoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.