(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 861633-33-2) is a chemical compound with molecular formula C20H25N9O3 and molecular weight 439.21 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-[[cyclohexyl(methyl)amino]methyl]-N-[(E)-(3-hydroxyphenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[cyclohexyl(methyl)amino]methyl]-N-[(E)-(3-hydroxyphenyl)methylideneamino]triazole-4-carboxamide, 3-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenolate
| Molecular Formula | C20H25N9O3 |
|---|---|
| Molecular Weight | 439.21 g/mol |
| LogP | 1.4665 |
| Topological Polar Surface Area | 160.58 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.20804 |
| Heavy Atoms | 32 |
| Complexity | 1101.4381 |
Chemical Identifiers
| CAS Number | 861633-33-2 |
|---|---|
| SMILES | CN(CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC(=CC=C3)O)C4CCCCC4 |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 861633-33-2), with molecular formula C20H25N9O3 and molecular weight 439.21 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[cyclohexyl(methyl)amino]methyl]-N-[(E)-(3-hydroxyphenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 1.4665 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 160.58 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-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-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide has 3 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 (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 861633-33-2.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is C20H25N9O3.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 439.21 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-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-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-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-((cyclohexyl(methyl)amino)methyl)-N'-(3-hydroxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.