(E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-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-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate (CAS 577789-26-5) is a chemical compound with molecular formula C18H20N8O5 and molecular weight 428.16 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-methoxyphenyl] 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-methoxyphenyl acetate, [4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yltriazole-4-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] 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-methoxyphenyl acetate
| Molecular Formula | C18H20N8O5 |
|---|---|
| Molecular Weight | 428.16 g/mol |
| LogP | 1.0537 |
| Topological Polar Surface Area | 172.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.15567 |
| Heavy Atoms | 31 |
| Complexity | 1133.9261 |
Chemical Identifiers
| CAS Number | 577789-26-5 |
|---|---|
| SMILES | CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC(=C(C=C3)OC(=O)C)OC |
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-methoxyphenyl acetate (CAS 577789-26-5), with molecular formula C18H20N8O5 and molecular weight 428.16 g/mol. IUPAC: [4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yltriazole-4-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] 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-methoxyphenyl 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-methoxyphenyl acetate
The XLogP value of 1.0537 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-methoxyphenyl 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-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-isopropyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl 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-methoxyphenyl 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-methoxyphenyl acetate is 577789-26-5.
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-methoxyphenyl 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-methoxyphenyl acetate is C18H20N8O5.
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-methoxyphenyl 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-methoxyphenyl acetate is 428.16 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-methoxyphenyl 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-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-isopropyl-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-isopropyl-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.