(E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide
TL;DR: (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide (CAS 850749-71-2) is a chemical compound with molecular formula C22H22N10O4 and molecular weight 490.18 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)-N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-[(N-methylanilino)methyl]triazole-4-carboxamide
Also Known As: (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-[(N-methylanilino)methyl]triazole-4-carboxamide, 2-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[methyl(phenyl)amino]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenoxy}acetamide
| Molecular Formula | C22H22N10O4 |
|---|---|
| Molecular Weight | 490.18 g/mol |
| LogP | 0.4969 |
| Topological Polar Surface Area | 192.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 490.18256 |
| Heavy Atoms | 36 |
| Complexity | 1365.2489 |
Chemical Identifiers
| CAS Number | 850749-71-2 |
|---|---|
| SMILES | CN(CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC=C(C=C3)OCC(=O)N)C4=CC=CC=C4 |
Product Overview
(E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide (CAS 850749-71-2), with molecular formula C22H22N10O4 and molecular weight 490.18 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-[(N-methylanilino)methyl]triazole-4-carboxamide.
Chemical Property Profile of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide
Property Insights of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide
The XLogP value of 0.4969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide. The TPSA of 192.67 Ų indicates high polarity, suggesting (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide has 3 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-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide?
The CAS number of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide is 850749-71-2.
What is the molecular formula of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide?
The molecular formula of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide is C22H22N10O4.
What is the molecular weight of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide?
The molecular weight of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide is 490.18 g/mol.
Where can I buy (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide?
You can request a quote for (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.