TL;DR: Naphthalenesulfonic acid, dinonyl-, calcium salt (2:1) (CAS 57855-77-3) is a chemical compound with molecular formula C28H43CaO3S+ and molecular weight 499.2559 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium 2,3-di(nonyl)naphthalene-1-sulfonate
Also Known As: Calcium bis(dinonylnaphthalenesulphonate), Dinonylnaphthalenesulfonic acid, calcium salt, calcium dinonylnaphthalene sulfonate, VICTORIA PURE BLUE LEUCONITRILE, calcium 2,3-di(nonyl)naphthalene-1-sulfonate
| Molecular Formula | C28H43CaO3S+ |
| Molecular Weight | 499.2559 g/mol |
| XLogP | 7.95 |
| Topological Polar Surface Area (TPSA) | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 499.2559 Da |
| Heavy Atoms | 33 |
| Complexity | 554.0 |
| SMILES | CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].[Ca+2] |
| InChIKey | BMPUQEWIPPPIEJ-UHFFFAOYSA-M |
The XLogP value of 7.95 indicates that Naphthalenesulfonic acid, dinonyl-, calcium salt (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphthalenesulfonic acid, dinonyl-, calcium salt (2:1). Following Lipinski's Rule of Five, Naphthalenesulfonic acid, dinonyl-, calcium salt (2:1) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Naphthalenesulfonic acid, dinonyl-, calcium salt (2:1) is 57855-77-3.
The molecular formula of Naphthalenesulfonic acid, dinonyl-, calcium salt (2:1) is C28H43CaO3S+.
The molecular weight of Naphthalenesulfonic acid, dinonyl-, calcium salt (2:1) is 499.2559 g/mol.
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