TL;DR: 2-Naphthalenesulfonic acid, 7-[(3-aminobenzoyl)amino]-4-hydroxy- (CAS 118-50-3) is a chemical compound with molecular formula C17H14N2O5S and molecular weight 358.06235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
Also Known As: m-Aminobenzoyl J Acid, 7-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid, 2-Naphthalenesulfonic acid, 7-[(3-aminobenzoyl)amino]-4-hydroxy-, 2-Naphthalenesulfonic acid, 7-((3-aminobenzoyl)amino)-4-hydroxy-, 2-Naphthalenesulfonic acid, 7-(m-aminobenzamido)-4-hydroxy-
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H14N2O5S |
| Molecular Weight | 358.06235 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.06235 Da |
| Heavy Atoms | 25 |
| Complexity | 590.0 |
| SMILES | C1=CC(=CC(=C1)N)C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O |
| InChIKey | XONNZQRHMVHLNV-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Naphthalenesulfonic acid, 7-[(3-aminobenzoyl)amino]-4-hydroxy-. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Naphthalenesulfonic acid, 7-[(3-aminobenzoyl)amino]-4-hydroxy-. Following Lipinski's Rule of Five, 2-Naphthalenesulfonic acid, 7-[(3-aminobenzoyl)amino]-4-hydroxy- has 4 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-Naphthalenesulfonic acid, 7-[(3-aminobenzoyl)amino]-4-hydroxy- is 118-50-3.
The molecular formula of 2-Naphthalenesulfonic acid, 7-[(3-aminobenzoyl)amino]-4-hydroxy- is C17H14N2O5S.
The molecular weight of 2-Naphthalenesulfonic acid, 7-[(3-aminobenzoyl)amino]-4-hydroxy- is 358.06235 g/mol.
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