TL;DR: Polyanetholesulfonic Acid, Sodium Salt, Ultrapure (CAS 55963-78-5) is a chemical compound with molecular formula C10H12NaO4S- and molecular weight 251.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium;1-methoxy-4-prop-1-enylbenzene;sulfite
Also Known As: Sodium polyanetholesulfonate, C10H12NaO4S-, polyanetholesulfonic acid sodium, POLYANETHOLESULFONIC ACID SODIUM SALT, Sodium;1-methoxy-4-prop-1-enylbenzene;sulfite
| Molecular Formula | C10H12NaO4S- |
| Molecular Weight | 251.0354 g/mol |
| XLogP | -1.27 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.0354 Da |
| Heavy Atoms | 16 |
| Complexity | 140.0 |
| SMILES | CC=CC1=CC=C(C=C1)OC.[O-]S(=O)[O-].[Na+] |
| InChIKey | JKJBFNAERWARKW-UHFFFAOYSA-L |
The XLogP value of -1.27 indicates that Polyanetholesulfonic Acid, Sodium Salt, Ultrapure is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Polyanetholesulfonic Acid, Sodium Salt, Ultrapure. Following Lipinski's Rule of Five, Polyanetholesulfonic Acid, Sodium Salt, Ultrapure has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Polyanetholesulfonic Acid, Sodium Salt, Ultrapure is 55963-78-5.
The molecular formula of Polyanetholesulfonic Acid, Sodium Salt, Ultrapure is C10H12NaO4S-.
The molecular weight of Polyanetholesulfonic Acid, Sodium Salt, Ultrapure is 251.0354 g/mol.
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