(Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 848987-56-4) is a chemical compound with molecular formula C17H14N12O3S and molecular weight 466.10 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-[(2-hydroxy-1H-indol-3-yl)imino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
Also Known As: (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N'-(2-oxoindol-3-yl)triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C17H14N12O3S |
|---|---|
| Molecular Weight | 466.10 g/mol |
| LogP | 1.7643 |
| Topological Polar Surface Area | 204.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.10324 |
| Heavy Atoms | 33 |
| Complexity | 1496.0073 |
Chemical Identifiers
| CAS Number | 848987-56-4 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=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)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 848987-56-4), with molecular formula C17H14N12O3S and molecular weight 466.10 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 1.7643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 204.17 Ų indicates high polarity, suggesting (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-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)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide has 3 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 (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is 848987-56-4.
What is the molecular formula of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is C17H14N12O3S.
What is the molecular weight of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is 466.10 g/mol.
Where can I buy (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-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)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-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)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.