(E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate
TL;DR: (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate (CAS 573697-67-3) is a chemical compound with molecular formula C22H19FN8O6 and molecular weight 510.14 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-[(4-fluorophenoxy)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
Also Known As: (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate, [4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate, 4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate
| Molecular Formula | C22H19FN8O6 |
|---|---|
| Molecular Weight | 510.14 g/mol |
| LogP | 1.6484 |
| Topological Polar Surface Area | 181.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 510.14114 |
| Heavy Atoms | 37 |
| Complexity | 1449.8843 |
Chemical Identifiers
| CAS Number | 573697-67-3 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)COC4=CC=C(C=C4)F)OC |
Product Overview
(E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate (CAS 573697-67-3), with molecular formula C22H19FN8O6 and molecular weight 510.14 g/mol. IUPAC: [4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate.
Chemical Property Profile of (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate
Property Insights of (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate
The XLogP value of 1.6484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate. The TPSA of 181.87 Ų indicates high polarity, suggesting (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl 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-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate has 2 hydrogen bond donor(s) and 12 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-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate?
The CAS number of (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate is 573697-67-3.
What is the molecular formula of (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate?
The molecular formula of (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate is C22H19FN8O6.
What is the molecular weight of (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate?
The molecular weight of (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate is 510.14 g/mol.
Where can I buy (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate?
You can request a quote for (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl 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-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-fluorophenoxy)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.