![1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide structure](/static/products/841/841206-40-4.png)
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide (CAS 841206-40-4) is a chemical compound with molecular formula C20H15N9O3S and molecular weight 461.10 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-(phenylsulfanylmethyl)triazole-4-carboxamide
Also Known As: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide, (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindolin-3-ylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-oxoindol-3-yl)-5-(phenylsulfanylmethyl)triazole-4-carbohydrazide
| Molecular Formula | C20H15N9O3S |
|---|---|
| Molecular Weight | 461.10 g/mol |
| LogP | 3.6358 |
| Topological Polar Surface Area | 173.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.10187 |
| Heavy Atoms | 33 |
| Complexity | 1472.7596 |
Chemical Identifiers
| CAS Number | 841206-40-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)N=NC4=C(NC5=CC=CC=C54)O |
Product Overview
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide (CAS 841206-40-4), with molecular formula C20H15N9O3S and molecular weight 461.10 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide.
Chemical Property Profile of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 3.6358 indicates that 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)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 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)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 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide is 841206-40-4.
What is the molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide is C20H15N9O3S.
What is the molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide is 461.10 g/mol.
Where can I buy 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)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 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.