TL;DR: 2-Naphthalenecarboxylic acid, 3-hydroxy-7-sulfo- (CAS 15509-36-1) is a chemical compound with molecular formula C11H8O6S and molecular weight 268.00415 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-7-sulfonaphthalene-2-carboxylic acid
Also Known As: 3-Hydroxy-7-sulfo-2-naphthoic acid, starbld0023301, 3-hydroxy-7-sulfonaphthalene-2-carboxylic acid, 2-Naphthalenecarboxylic acid, 3-hydroxy-7-sulfo-, 2-Naphthoic acid, 3-hydroxy-7-sulfo-
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H8O6S |
| Molecular Weight | 268.00415 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.00415 Da |
| Heavy Atoms | 18 |
| Complexity | 425.0 |
| SMILES | C1=CC(=CC2=CC(=C(C=C21)O)C(=O)O)S(=O)(=O)O |
| InChIKey | NZJXVZBWNVXRHJ-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Naphthalenecarboxylic acid, 3-hydroxy-7-sulfo-. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Naphthalenecarboxylic acid, 3-hydroxy-7-sulfo-. Following Lipinski's Rule of Five, 2-Naphthalenecarboxylic acid, 3-hydroxy-7-sulfo- has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Naphthalenecarboxylic acid, 3-hydroxy-7-sulfo- is 15509-36-1.
The molecular formula of 2-Naphthalenecarboxylic acid, 3-hydroxy-7-sulfo- is C11H8O6S.
The molecular weight of 2-Naphthalenecarboxylic acid, 3-hydroxy-7-sulfo- is 268.00415 g/mol.
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