TL;DR: 3-[(4-Aminonaphthalen-1-yl)diazenyl]benzenesulfonic acid (CAS 63938-79-4) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.06775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonic acid
Also Known As: m-(4-Amino-1-naphthylazo)benzenesulfonic acid, 3-[(e)-(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonic acid, 3-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonic acid, Benzenesulfonic acid, 3-[(4-amino-1-naphthalenyl)azo]-, SODIUM M-[(4-AMINO-1-NAPHTHYL)AZO]BENZENESULPHONATE
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H13N3O3S |
| Molecular Weight | 327.06775 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.06775 Da |
| Heavy Atoms | 23 |
| Complexity | 531.0 |
| SMILES | C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=CC=C3)S(=O)(=O)O)N |
| InChIKey | COAVSGQDMBDKLG-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 3-[(4-Aminonaphthalen-1-yl)diazenyl]benzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Aminonaphthalen-1-yl)diazenyl]benzenesulfonic acid. Following Lipinski's Rule of Five, 3-[(4-Aminonaphthalen-1-yl)diazenyl]benzenesulfonic acid has 2 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 3-[(4-Aminonaphthalen-1-yl)diazenyl]benzenesulfonic acid is 63938-79-4.
The molecular formula of 3-[(4-Aminonaphthalen-1-yl)diazenyl]benzenesulfonic acid is C16H13N3O3S.
The molecular weight of 3-[(4-Aminonaphthalen-1-yl)diazenyl]benzenesulfonic acid is 327.06775 g/mol.
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