(E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(p-tolyl)-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-(p-tolyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide (CAS 587014-24-2) is a chemical compound with molecular formula C21H19N9O3 and molecular weight 445.16 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-(4-methylphenyl)triazole-4-carboxamide
Also Known As: (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(p-tolyl)-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-(4-methylphenyl)triazole-4-carboxamide, N-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenyl}acetamide
| Molecular Formula | C21H19N9O3 |
|---|---|
| Molecular Weight | 445.16 g/mol |
| LogP | 1.93022 |
| Topological Polar Surface Area | 166.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.16107 |
| Heavy Atoms | 33 |
| Complexity | 1322.0316 |
Chemical Identifiers
| CAS Number | 587014-24-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=C(C=C4)NC(=O)C |
Product Overview
(E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(p-tolyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide (CAS 587014-24-2), with molecular formula C21H19N9O3 and molecular weight 445.16 g/mol. IUPAC: N-[(E)-(4-acetamidophenyl)methylideneamino]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)triazole-4-carboxamide.
Chemical Property Profile of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(p-tolyl)-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-(p-tolyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide
The XLogP value of 1.93022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(p-tolyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide. The TPSA of 166.21 Ų indicates high polarity, suggesting (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(p-tolyl)-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-(p-tolyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide has 3 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)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(p-tolyl)-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-(p-tolyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide is 587014-24-2.
What is the molecular formula of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(p-tolyl)-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-(p-tolyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide is C21H19N9O3.
What is the molecular weight of (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(p-tolyl)-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-(p-tolyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenyl)acetamide is 445.16 g/mol.
Where can I buy (E)-N-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(p-tolyl)-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-(p-tolyl)-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-(p-tolyl)-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-(p-tolyl)-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.