(E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide
TL;DR: (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide (CAS 849031-36-3) is a chemical compound with molecular formula C22H28N10O3 and molecular weight 480.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-acetamidophenyl)methylideneamino]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[cyclohexyl(methyl)amino]methyl]triazole-4-carboxamide
Also Known As: (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide, N-[(E)-(4-acetamidophenyl)methylideneamino]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[cyclohexyl(methyl)amino]methyl]triazole-4-carboxamide, N-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenyl}acetamide
| Molecular Formula | C22H28N10O3 |
|---|---|
| Molecular Weight | 480.23 g/mol |
| LogP | 1.7193 |
| Topological Polar Surface Area | 169.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.2346 |
| Heavy Atoms | 35 |
| Complexity | 1194.5447 |
Chemical Identifiers
| CAS Number | 849031-36-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C4CCCCC4 |
Product Overview
(E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide (CAS 849031-36-3), with molecular formula C22H28N10O3 and molecular weight 480.23 g/mol. IUPAC: N-[(E)-(4-acetamidophenyl)methylideneamino]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[cyclohexyl(methyl)amino]methyl]triazole-4-carboxamide.
Chemical Property Profile of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide
Property Insights of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide
The XLogP value of 1.7193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide. The TPSA of 169.45 Ų indicates high polarity, suggesting (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide 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)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide?
The CAS number of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide is 849031-36-3.
What is the molecular formula of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide?
The molecular formula of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide is C22H28N10O3.
What is the molecular weight of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide?
The molecular weight of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide is 480.23 g/mol.
Where can I buy (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide?
You can request a quote for (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.