(E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)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-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate (CAS 578701-80-1) is a chemical compound with molecular formula C18H21N9O5 and molecular weight 443.17 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-[(dimethylamino)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-((dimethylamino)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-(dimethylaminomethyl)triazole-4-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate, 4-[(E)-({[1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[(DIMETHYLAMINO)METHYL]-1H-1,2,3-TRIAZOL-4-YL]FORMAMIDO}IMINO)METHYL]-2-METHOXYPHENYL ACETATE, 4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate
| Molecular Formula | C18H21N9O5 |
|---|---|
| Molecular Weight | 443.17 g/mol |
| LogP | -0.0081 |
| Topological Polar Surface Area | 175.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.16656 |
| Heavy Atoms | 32 |
| Complexity | 1151.6698 |
Chemical Identifiers
| CAS Number | 578701-80-1 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C)OC |
Product Overview
(E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate (CAS 578701-80-1), with molecular formula C18H21N9O5 and molecular weight 443.17 g/mol. IUPAC: [4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)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-((dimethylamino)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-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate
The XLogP value of -0.0081 indicates that (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.88 Ų indicates high polarity, suggesting (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)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-((dimethylamino)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-((dimethylamino)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-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate is 578701-80-1.
What is the molecular formula of (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)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-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate is C18H21N9O5.
What is the molecular weight of (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)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-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2-methoxyphenyl acetate is 443.17 g/mol.
Where can I buy (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)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-((dimethylamino)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-((dimethylamino)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-((dimethylamino)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.