(E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate
TL;DR: (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate (CAS 840486-42-2) is a chemical compound with molecular formula C19H22N8O5 and molecular weight 442.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yltriazole-4-carbonyl]hydrazinylidene]methyl]-2-ethoxyphenyl] acetate
Also Known As: (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate, [4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yltriazole-4-carbonyl]hydrazinylidene]methyl]-2-ethoxyphenyl] acetate, 4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(propan-2-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-ethoxyphenyl acetate
| Molecular Formula | C19H22N8O5 |
|---|---|
| Molecular Weight | 442.17 g/mol |
| LogP | 1.4438 |
| Topological Polar Surface Area | 172.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.17133 |
| Heavy Atoms | 32 |
| Complexity | 1150.5471 |
Chemical Identifiers
| CAS Number | 840486-42-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C(C)C)OC(=O)C |
Product Overview
(E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate (CAS 840486-42-2), with molecular formula C19H22N8O5 and molecular weight 442.17 g/mol. IUPAC: [4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yltriazole-4-carbonyl]hydrazinylidene]methyl]-2-ethoxyphenyl] acetate.
Chemical Property Profile of (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate
Property Insights of (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate
The XLogP value of 1.4438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate. The TPSA of 172.64 Ų indicates high polarity, suggesting (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate has 2 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)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate?
The CAS number of (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate is 840486-42-2.
What is the molecular formula of (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate?
The molecular formula of (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate is C19H22N8O5.
What is the molecular weight of (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate?
The molecular weight of (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate is 442.17 g/mol.
Where can I buy (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate?
You can request a quote for (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-ethoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.