(Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 849026-87-5) is a chemical compound with molecular formula C21H17N9O3S and molecular weight 475.12 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-[(2-hydroxy-1H-indol-3-yl)imino]-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide
Also Known As: (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]-N'-(2-oxoindol-3-yl)triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C21H17N9O3S |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 3.94422 |
| Topological Polar Surface Area | 173.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.1175 |
| Heavy Atoms | 34 |
| Complexity | 1518.3286 |
Chemical Identifiers
| CAS Number | 849026-87-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)N=NC4=C(NC5=CC=CC=C54)O |
Product Overview
(Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 849026-87-5), with molecular formula C21H17N9O3S and molecular weight 475.12 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 3.94422 indicates that (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.46 Ų indicates high polarity, suggesting (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide has 3 hydrogen bond donor(s) and 10 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 (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 849026-87-5.
What is the molecular formula of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is C21H17N9O3S.
What is the molecular weight of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 475.12 g/mol.
Where can I buy (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-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 (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-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.