(E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide
TL;DR: (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide (CAS 799790-99-1) is a chemical compound with molecular formula C18H16N12O5 and molecular weight 480.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]acetamide
Also Known As: (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide, 2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]acetamide, 2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl]-N'-{(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylidene}acetohydrazide
| Molecular Formula | C18H16N12O5 |
|---|---|
| Molecular Weight | 480.14 g/mol |
| LogP | -0.39622 |
| Topological Polar Surface Area | 244.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.13666 |
| Heavy Atoms | 35 |
| Complexity | 1415.363 |
Chemical Identifiers
| CAS Number | 799790-99-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=N/NC(=O)CN2C(=NC(=N2)C3=NON=C3N)C4=NON=C4N)OCC#N |
Product Overview
(E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide (CAS 799790-99-1), with molecular formula C18H16N12O5 and molecular weight 480.14 g/mol. IUPAC: 2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]acetamide.
Chemical Property Profile of (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide
Property Insights of (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide
The XLogP value of -0.39622 indicates that (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 244.3 Ų indicates high polarity, suggesting (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide has 3 hydrogen bond donor(s) and 15 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-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide?
The CAS number of (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide is 799790-99-1.
What is the molecular formula of (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide?
The molecular formula of (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide is C18H16N12O5.
What is the molecular weight of (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide?
The molecular weight of (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide is 480.14 g/mol.
Where can I buy (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide?
You can request a quote for (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-(cyanomethoxy)-3-methoxybenzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.