TL;DR: Tetrasodium 1,3,6,8-pyrenetetrasulfonate (CAS 59572-10-0) is a chemical compound with molecular formula C16H6Na4O12S4 and molecular weight 609.8333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tetrasodium;pyrene-1,3,6,8-tetrasulfonate
Also Known As: Trasar 23299, Tetrasodium 1,3,6,8-pyrenetetrasulfonate, HPTS, PTSA, Sodium pyrene-1,3,6,8-tetrasulfonate
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H6Na4O12S4 |
| Molecular Weight | 609.8333 g/mol |
| XLogP | -11.78 |
| Topological Polar Surface Area (TPSA) | 262.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 0 |
| Exact Mass | 609.8333 Da |
| Heavy Atoms | 36 |
| Complexity | 942.0 |
| SMILES | C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | UZBIRLJMURQVMX-UHFFFAOYSA-J |
The XLogP value of -11.78 indicates that Tetrasodium 1,3,6,8-pyrenetetrasulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 262.0 Ų indicates high polarity, suggesting Tetrasodium 1,3,6,8-pyrenetetrasulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetrasodium 1,3,6,8-pyrenetetrasulfonate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tetrasodium 1,3,6,8-pyrenetetrasulfonate is 59572-10-0.
The molecular formula of Tetrasodium 1,3,6,8-pyrenetetrasulfonate is C16H6Na4O12S4.
The molecular weight of Tetrasodium 1,3,6,8-pyrenetetrasulfonate is 609.8333 g/mol.
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