TL;DR: 4,4'-Dinitro-2,2'-stilbene disulfonate disodium salt (CAS 3709-43-1) is a chemical compound with molecular formula C14H8N2Na2O10S2 and molecular weight 473.9416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;5-nitro-2-[2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate
Also Known As: DNDS (disodium), Disodium 4,4'-dinitro-2,2'-stilbenedisulfonic acid, Disodium 4,4'-Dinitrostilbene-2,2'-disulfonate, disodium 4,4-dinitrostilbene-2,2-disulfonate, sodium 4,4'-dinitrostilbene-2,2'-disulfonate
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H8N2Na2O10S2 |
| Molecular Weight | 473.9416 g/mol |
| XLogP | -4.51 |
| Topological Polar Surface Area (TPSA) | 223.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 473.9416 Da |
| Heavy Atoms | 30 |
| Complexity | 735.0 |
| 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+].[Na+] |
| InChIKey | SDCDTWFAOKXZHD-UHFFFAOYSA-L |
The XLogP value of -4.51 indicates that 4,4'-Dinitro-2,2'-stilbene disulfonate disodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 223.0 Ų indicates high polarity, suggesting 4,4'-Dinitro-2,2'-stilbene disulfonate disodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-Dinitro-2,2'-stilbene disulfonate disodium salt has 0 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 4,4'-Dinitro-2,2'-stilbene disulfonate disodium salt is 3709-43-1.
The molecular formula of 4,4'-Dinitro-2,2'-stilbene disulfonate disodium salt is C14H8N2Na2O10S2.
The molecular weight of 4,4'-Dinitro-2,2'-stilbene disulfonate disodium salt is 473.9416 g/mol.
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