TL;DR: Quinobene (CAS 140942-13-8) is a chemical compound with molecular formula C32H18N6Na4O14S4 and molecular weight 929.9355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tetrasodium;8-hydroxy-7-[[4-[2-[4-[(8-hydroxy-5-sulfonatoquinolin-7-yl)diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]quinoline-5-sulfonate
Also Known As: Quinobene
| Molecular Formula | C32H18N6Na4O14S4 |
| Molecular Weight | 929.9355 g/mol |
| XLogP | -7.1722 |
| Topological Polar Surface Area (TPSA) | 378.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 6 |
| Exact Mass | 929.9355 Da |
| Heavy Atoms | 60 |
| Complexity | 1740.0 |
| SMILES | C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=CC(=C6C=CC=NC6=C5O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | JBISMGFDJQAWEF-UHFFFAOYSA-J |
The XLogP value of -7.1722 indicates that Quinobene is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 378.0 Ų indicates high polarity, suggesting Quinobene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quinobene has 2 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Quinobene is 140942-13-8.
The molecular formula of Quinobene is C32H18N6Na4O14S4.
The molecular weight of Quinobene is 929.9355 g/mol.
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