(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 848929-34-0) is a chemical compound with molecular formula C17H17N11O2S2 and molecular weight 471.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
| Molecular Formula | C17H17N11O2S2 |
|---|---|
| Molecular Weight | 471.10 g/mol |
| LogP | 1.1391 |
| Topological Polar Surface Area | 167.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.1008 |
| Heavy Atoms | 32 |
| Complexity | 1245.6738 |
Chemical Identifiers
| CAS Number | 848929-34-0 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=C(C=C4)SC |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 848929-34-0), with molecular formula C17H17N11O2S2 and molecular weight 471.10 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 1.1391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 167.82 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide 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)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 848929-34-0.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide is C17H17N11O2S2.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 471.10 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(4-(methylthio)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.