TL;DR: 1-Naphthalenesulfonic acid, 4-diazenyl-3-hydroxy-8-nitro- (CAS 70179-81-6) is a chemical compound with molecular formula C10H7N3O6S and molecular weight 297.00555 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-diazenyl-3-hydroxy-8-nitronaphthalene-1-sulfonic acid
Also Known As: 2-Hydroxy-5-nitro-4-sulfo-1-naphthalenediazene, 1-Naphthalenesulfonic acid, 4-diazenyl-3-hydroxy-8-nitro-, 4-diazenyl-3-hydroxy-8-nitronaphthalene-1-sulfonic acid, 4-Diazenyl-3-hydroxy-8-nitro-1-naphthalenesulfonic acid, 1-Naphthalenesulfonicacid, 4-diazenyl-3-hydroxy-8-nitro-
| Molecular Formula | C10H7N3O6S |
| Molecular Weight | 297.00555 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 165.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.00555 Da |
| Heavy Atoms | 20 |
| Complexity | 498.0 |
| SMILES | C1=CC2=C(C(=CC(=C2C(=C1)[N+](=O)[O-])S(=O)(=O)O)O)N=N |
| InChIKey | ITRVDVQTTRKBEH-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Naphthalenesulfonic acid, 4-diazenyl-3-hydroxy-8-nitro-. The TPSA of 165.0 Ų indicates high polarity, suggesting 1-Naphthalenesulfonic acid, 4-diazenyl-3-hydroxy-8-nitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Naphthalenesulfonic acid, 4-diazenyl-3-hydroxy-8-nitro- has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Naphthalenesulfonic acid, 4-diazenyl-3-hydroxy-8-nitro- is 70179-81-6.
The molecular formula of 1-Naphthalenesulfonic acid, 4-diazenyl-3-hydroxy-8-nitro- is C10H7N3O6S.
The molecular weight of 1-Naphthalenesulfonic acid, 4-diazenyl-3-hydroxy-8-nitro- is 297.00555 g/mol.
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