TL;DR: 4-Hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid (CAS 25251-42-7) is a chemical compound with molecular formula C16H13NO7S2 and molecular weight 395.01334 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-6-(3-sulfoanilino)naphthalene-2-sulfonic acid
Also Known As: Pvpp, 3-Sulfophenylgamma acid, Polyvinylpolypyrrolidone, 4-Hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid, 3-SULFOPHENYL GAMMA ACID
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H13NO7S2 |
| Molecular Weight | 395.01334 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.01334 Da |
| Heavy Atoms | 26 |
| Complexity | 697.0 |
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O |
| InChIKey | LSDXXYNYKPLONE-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid. The TPSA of 158.0 Ų indicates high polarity, suggesting 4-Hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid is 25251-42-7.
The molecular formula of 4-Hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid is C16H13NO7S2.
The molecular weight of 4-Hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid is 395.01334 g/mol.
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