(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 848925-93-9) is a chemical compound with molecular formula C20H16F2N8O2S and molecular weight 470.11 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)-(2,4-difluorophenyl)methylideneamino]-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-difluorophenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2,4-difluorophenyl)methylideneamino]-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide
| Molecular Formula | C20H16F2N8O2S |
|---|---|
| Molecular Weight | 470.11 g/mol |
| LogP | 2.87532 |
| Topological Polar Surface Area | 137.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.1085 |
| Heavy Atoms | 33 |
| Complexity | 1320.1084 |
Chemical Identifiers
| CAS Number | 848925-93-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=C(C=C(C=C4)F)F |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 848925-93-9), with molecular formula C20H16F2N8O2S and molecular weight 470.11 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2,4-difluorophenyl)methylideneamino]-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.87532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 137.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide. Following Lipinski's Rule of Five, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 848925-93-9.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is C20H16F2N8O2S.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 470.11 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-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)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-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)-N'-(2,4-difluorobenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.