![(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbohydrazide structure](/static/products/848/848989-25-3.png)
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 848989-25-3) is a chemical compound with molecular formula C21H25N9O4 and molecular weight 467.20 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)-1,3-benzodioxol-5-ylmethylideneamino]-5-[[cyclohexyl(methyl)amino]methyl]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-[[cyclohexyl(methyl)amino]methyl]triazole-4-carboxamide
| Molecular Formula | C21H25N9O4 |
|---|---|
| Molecular Weight | 467.20 g/mol |
| LogP | 1.4896 |
| Topological Polar Surface Area | 158.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.20294 |
| Heavy Atoms | 34 |
| Complexity | 1198.8231 |
Chemical Identifiers
| CAS Number | 848989-25-3 |
|---|---|
| SMILES | CN(CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC4=C(C=C3)OCO4)C5CCCCC5 |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 848989-25-3), with molecular formula C21H25N9O4 and molecular weight 467.20 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-[[cyclohexyl(methyl)amino]methyl]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 1.4896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)methyl)-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)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)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'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)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'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 848989-25-3.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbohydrazide is C21H25N9O4.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 467.20 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)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'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)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'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)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'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.