TL;DR: Sodium 5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonate (CAS 15883-59-7) is a chemical compound with molecular formula C14H9N2NaO10S2 and molecular weight 451.95963 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonate
Also Known As: Sodium 4,4'-dinitrostilbene-2,2'-disulphonate, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-nitro-, sodium salt, sodium 5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonate, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-nitro-, sodium salt, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-nitro-, sodium salt (1:?)
| Molecular Formula | C14H9N2NaO10S2 |
| Molecular Weight | 451.95963 g/mol |
| XLogP | -1.17 |
| Topological Polar Surface Area (TPSA) | 220.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.95963 Da |
| Heavy Atoms | 29 |
| Complexity | 818.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+] |
| InChIKey | CPXWJGQVGBSGDW-UHFFFAOYSA-M |
The XLogP value of -1.17 indicates that Sodium 5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 220.0 Ų indicates high polarity, suggesting Sodium 5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sodium 5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Sodium 5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonate is 15883-59-7.
The molecular formula of Sodium 5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonate is C14H9N2NaO10S2.
The molecular weight of Sodium 5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonate is 451.95963 g/mol.
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