![(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide structure](/static/products/573/573708-08-4.png)
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 573708-08-4) is a chemical compound with molecular formula C20H16N8O4S and molecular weight 464.10 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-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
| Molecular Formula | C20H16N8O4S |
|---|---|
| Molecular Weight | 464.10 g/mol |
| LogP | 2.0174 |
| Topological Polar Surface Area | 155.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.10153 |
| Heavy Atoms | 33 |
| Complexity | 1320.8633 |
Chemical Identifiers
| CAS Number | 573708-08-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=C(N(N=N3)C4=NON=C4N)CSC5=CC=CC=C5 |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 573708-08-4), with molecular formula C20H16N8O4S and molecular weight 464.10 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.0174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-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'-(benzo[d][1,3]dioxol-5-ylmethylene)-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'-(benzo[d][1,3]dioxol-5-ylmethylene)-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'-(benzo[d][1,3]dioxol-5-ylmethylene)-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'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 573708-08-4.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-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'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is C20H16N8O4S.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-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'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 464.10 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-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'-(benzo[d][1,3]dioxol-5-ylmethylene)-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'-(benzo[d][1,3]dioxol-5-ylmethylene)-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'-(benzo[d][1,3]dioxol-5-ylmethylene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.