(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-methylbenzylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-methylbenzylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 577696-75-4) is a chemical compound with molecular formula C20H18N8O2S and molecular weight 434.13 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-methylphenyl)methylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-methylbenzylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-methylphenyl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-methylphenyl)methylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide, 1-(4-Amino-furazan-3-yl)-5-phenylsulfanylmethyl-1H-[1,2,3]triazole-4-carboxylic acid [1-p-tolyl-meth-(E)-ylidene]-hydrazide
| Molecular Formula | C20H18N8O2S |
|---|---|
| Molecular Weight | 434.13 g/mol |
| LogP | 2.59712 |
| Topological Polar Surface Area | 137.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.12735 |
| Heavy Atoms | 31 |
| Complexity | 1201.6652 |
Chemical Identifiers
| CAS Number | 577696-75-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=CC=C4 |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-methylbenzylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 577696-75-4), with molecular formula C20H18N8O2S and molecular weight 434.13 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-methylphenyl)methylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-methylbenzylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-methylbenzylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.59712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-methylbenzylidene)-5-((phenylthio)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'-(4-methylbenzylidene)-5-((phenylthio)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'-(4-methylbenzylidene)-5-((phenylthio)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'-(4-methylbenzylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-methylbenzylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 577696-75-4.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-methylbenzylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-methylbenzylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is C20H18N8O2S.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-methylbenzylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-methylbenzylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 434.13 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-methylbenzylidene)-5-((phenylthio)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'-(4-methylbenzylidene)-5-((phenylthio)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'-(4-methylbenzylidene)-5-((phenylthio)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'-(4-methylbenzylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.