(E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide
TL;DR: (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide (CAS 862106-66-9) is a chemical compound with molecular formula C20H18N10O4 and molecular weight 462.15 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-[(2-carbamoylanilino)methyl]-N-[(E)-(3-hydroxyphenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-carbamoylanilino)methyl]-N-[(E)-(3-hydroxyphenyl)methylideneamino]triazole-4-carboxamide, 3-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(2-carbamoylphenyl)amino]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenolate
| Molecular Formula | C20H18N10O4 |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 0.413 |
| Topological Polar Surface Area | 212.46 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.15125 |
| Heavy Atoms | 34 |
| Complexity | 1377.1986 |
Chemical Identifiers
| CAS Number | 862106-66-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N)NCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC(=CC=C4)O |
Product Overview
(E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide (CAS 862106-66-9), with molecular formula C20H18N10O4 and molecular weight 462.15 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-carbamoylanilino)methyl]-N-[(E)-(3-hydroxyphenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide
Property Insights of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide
The XLogP value of 0.413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide. The TPSA of 212.46 Ų indicates high polarity, suggesting (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide has 5 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)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
The CAS number of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide is 862106-66-9.
What is the molecular formula of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
The molecular formula of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide is C20H18N10O4.
What is the molecular weight of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
The molecular weight of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide is 462.15 g/mol.
Where can I buy (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
You can request a quote for (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(3-hydroxybenzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.