![1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide structure](/static/products/861/861138-34-3.png)
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide (CAS 861138-34-3) is a chemical compound with molecular formula C21H18N8O4 and molecular weight 446.15 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-(1,3-benzodioxol-5-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]triazole-4-carboxamide
Also Known As: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]triazole-4-carboxamide, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(1-(p-tolyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C21H18N8O4 |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | 2.09062 |
| Topological Polar Surface Area | 155.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.1451 |
| Heavy Atoms | 33 |
| Complexity | 1373.4249 |
Chemical Identifiers
| CAS Number | 861138-34-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC5=C(C=C4)OCO5)/C |
Product Overview
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide (CAS 861138-34-3), with molecular formula C21H18N8O4 and molecular weight 446.15 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]triazole-4-carboxamide.
Chemical Property Profile of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.09062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 155.57 Ų indicates high polarity, suggesting 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-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 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide is 861138-34-3.
What is the molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide is C21H18N8O4.
What is the molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide is 446.15 g/mol.
Where can I buy 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-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 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.