(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 843631-02-7) is a chemical compound with molecular formula C22H21FN8O3 and molecular weight 464.17 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-[(4-fluorophenoxy)methyl]-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N'-[(E)-(2,4,6-trimethylphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]triazole-4-carboxamide, 1-(4-Amino-furazan-3-yl)-5-(4-fluoro-phenoxymethyl)-1H-[1,2,3]triazole-4-carboxylic acid [1-(2,4,6-trimethyl-phenyl)-meth-(E)-ylidene]-hydrazide
| Molecular Formula | C22H21FN8O3 |
|---|---|
| Molecular Weight | 464.17 g/mol |
| LogP | 2.63976 |
| Topological Polar Surface Area | 146.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.17206 |
| Heavy Atoms | 34 |
| Complexity | 1337.9843 |
Chemical Identifiers
| CAS Number | 843631-02-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)COC4=CC=C(C=C4)F)C |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 843631-02-7), with molecular formula C22H21FN8O3 and molecular weight 464.17 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.63976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 146.34 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-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-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 9 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 (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 843631-02-7.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is C22H21FN8O3.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 464.17 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-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-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-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-((4-fluorophenoxy)methyl)-N'-(2,4,6-trimethylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.