![(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide structure](/static/products/843/843616-27-3.png)
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 843616-27-3) is a chemical compound with molecular formula C21H18N8O4S and molecular weight 478.12 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-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(1,3-benzodioxol-5-yl)ethylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C21H18N8O4S |
|---|---|
| Molecular Weight | 478.12 g/mol |
| LogP | 2.4075 |
| Topological Polar Surface Area | 155.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.1172 |
| Heavy Atoms | 34 |
| Complexity | 1368.3678 |
Chemical Identifiers
| CAS Number | 843616-27-3 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=C3)/C4=CC5=C(C=C4)OCO5 |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 843616-27-3), with molecular formula C21H18N8O4S and molecular weight 478.12 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.4075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 155.57 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-5-((phenylthio)methyl)-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)-N'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide has 2 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)-N'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-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'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 843616-27-3.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-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'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is C21H18N8O4S.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-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'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 478.12 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-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'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-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'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-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'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.