(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 840515-07-3) is a chemical compound with molecular formula C22H22N8O5S and molecular weight 510.14 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-(phenylsulfanylmethyl)-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]triazole-4-carboxamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C22H22N8O5S |
|---|---|
| Molecular Weight | 510.14 g/mol |
| LogP | 2.3145 |
| Topological Polar Surface Area | 164.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 510.1434 |
| Heavy Atoms | 36 |
| Complexity | 1372.278 |
Chemical Identifiers
| CAS Number | 840515-07-3 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=CC=C4)OC)OC |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 840515-07-3), with molecular formula C22H22N8O5S and molecular weight 510.14 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.3145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 164.8 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-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-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide has 2 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 (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 840515-07-3.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is C22H22N8O5S.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 510.14 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-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-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-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-((phenylthio)methyl)-N'-(2,3,4-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.