(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 714290-03-6) is a chemical compound with molecular formula C19H15N9O4S and molecular weight 465.10 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)-(4-methylsulfanylphenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
| Molecular Formula | C19H15N9O4S |
|---|---|
| Molecular Weight | 465.10 g/mol |
| LogP | 2.2935 |
| Topological Polar Surface Area | 180.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.09677 |
| Heavy Atoms | 33 |
| Complexity | 1330.3146 |
Chemical Identifiers
| CAS Number | 714290-03-6 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 714290-03-6), with molecular formula C19H15N9O4S and molecular weight 465.10 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.2935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 180.25 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-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'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-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'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide is 714290-03-6.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide is C19H15N9O4S.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide is 465.10 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-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'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-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'-(4-(methylthio)benzylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.