![(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide structure](/static/products/861/861629-97-2.png)
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 861629-97-2) is a chemical compound with molecular formula C20H13N9O5 and molecular weight 459.10 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)-5-(1,3-benzodioxol-5-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-(2-oxoindol-3-yl)triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(3E)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C20H13N9O5 |
|---|---|
| Molecular Weight | 459.10 g/mol |
| LogP | 2.7392 |
| Topological Polar Surface Area | 191.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.10397 |
| Heavy Atoms | 34 |
| Complexity | 1599.273 |
Chemical Identifiers
| CAS Number | 861629-97-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)N=NC5=C(NC6=CC=CC=C65)O |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 861629-97-2), with molecular formula C20H13N9O5 and molecular weight 459.10 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.7392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 191.92 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-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, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is 861629-97-2.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is C20H13N9O5.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is 459.10 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-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 (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-oxoindolin-3-ylidene)-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)-5-(benzo[d][1,3]dioxol-5-yl)-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.