![1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide structure](/static/products/861/861138-76-3.png)
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(4-fluorophenyl)methylidene]-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'-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide (CAS 861138-76-3) is a chemical compound with molecular formula C19H13FN8O4 and molecular weight 436.10 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)-(4-fluorophenyl)methylideneamino]triazole-4-carboxamide
Also Known As: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]triazole-4-carboxamide, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(4-fluorobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C19H13FN8O4 |
|---|---|
| Molecular Weight | 436.10 g/mol |
| LogP | 1.5312 |
| Topological Polar Surface Area | 155.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.10437 |
| Heavy Atoms | 32 |
| Complexity | 1331.6086 |
Chemical Identifiers
| CAS Number | 861138-76-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)N/N=C/C5=CC=C(C=C5)F |
Product Overview
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide (CAS 861138-76-3), with molecular formula C19H13FN8O4 and molecular weight 436.10 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(4-fluorophenyl)methylidene]-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'-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 1.5312 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'-[(E)-(4-fluorophenyl)methylidene]-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'-[(E)-(4-fluorophenyl)methylidene]-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'-[(E)-(4-fluorophenyl)methylidene]-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'-[(E)-(4-fluorophenyl)methylidene]-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'-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide is 861138-76-3.
What is the molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(4-fluorophenyl)methylidene]-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'-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide is C19H13FN8O4.
What is the molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(4-fluorophenyl)methylidene]-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'-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide is 436.10 g/mol.
Where can I buy 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(4-fluorophenyl)methylidene]-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'-[(E)-(4-fluorophenyl)methylidene]-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'-[(E)-(4-fluorophenyl)methylidene]-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'-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.