TL;DR: 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(((4-methylphenyl)sulfonyl)amino)- (CAS 17618-71-2) is a chemical compound with molecular formula C17H15NO9S3 and molecular weight 472.9909 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonic acid
Also Known As: N-p-tosyl H acid, N-Toluenesulfonyl H-acid, 8-(4-Methylphenylsulfonamido)-1-naphthol-3,6-disulfonic acid, 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, EC 229-959-5
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H15NO9S3 |
| Molecular Weight | 472.9909 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 200.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.9909 Da |
| Heavy Atoms | 30 |
| Complexity | 922.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O |
| InChIKey | QVLDIIYDXICVCJ-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(((4-methylphenyl)sulfonyl)amino)-. The TPSA of 200.0 Ų indicates high polarity, suggesting 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(((4-methylphenyl)sulfonyl)amino)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(((4-methylphenyl)sulfonyl)amino)- has 4 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 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(((4-methylphenyl)sulfonyl)amino)- is 17618-71-2.
The molecular formula of 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(((4-methylphenyl)sulfonyl)amino)- is C17H15NO9S3.
The molecular weight of 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(((4-methylphenyl)sulfonyl)amino)- is 472.9909 g/mol.
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