TL;DR: 2-Naphthalenesulfonic acid, 5-amino-8-[(4-hydroxyphenyl)amino]- (CAS 118-21-8) is a chemical compound with molecular formula C16H14N2O4S and molecular weight 330.0674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-8-(4-hydroxyanilino)naphthalene-2-sulfonic acid
Also Known As: 2-Naphthalenesulfonic acid, 5-amino-8-[(4-hydroxyphenyl)amino]-, 5-amino-8-(4-hydroxyanilino)naphthalene-2-sulfonic acid, 5-amino-8-(4-hydroxyphenylamino)naphthalene-2-sulfonicacid, 5-amino-8-[(4-hydroxyphenyl)amino]naphthalene-2-sulfonic acid, 2-Naphthalenesulfonic acid, 5-amino-8-((4-hydroxyphenyl)amino)-
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H14N2O4S |
| Molecular Weight | 330.0674 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.0674 Da |
| Heavy Atoms | 23 |
| Complexity | 499.0 |
| SMILES | C1=CC(=CC=C1NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)O)O |
| InChIKey | WMMPQNHKEHRMSH-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Naphthalenesulfonic acid, 5-amino-8-[(4-hydroxyphenyl)amino]-. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Naphthalenesulfonic acid, 5-amino-8-[(4-hydroxyphenyl)amino]-. Following Lipinski's Rule of Five, 2-Naphthalenesulfonic acid, 5-amino-8-[(4-hydroxyphenyl)amino]- 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, 5-amino-8-[(4-hydroxyphenyl)amino]- is 118-21-8.
The molecular formula of 2-Naphthalenesulfonic acid, 5-amino-8-[(4-hydroxyphenyl)amino]- is C16H14N2O4S.
The molecular weight of 2-Naphthalenesulfonic acid, 5-amino-8-[(4-hydroxyphenyl)amino]- is 330.0674 g/mol.
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