TL;DR: 2,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-, sodium salt (1:2) (CAS 16698-16-1) is a chemical compound with molecular formula C12H9NNa2O8S2 and molecular weight 404.95648 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;4-acetamido-5-hydroxynaphthalene-2,7-disulfonate
Also Known As: disodium 4-acetamido-5-hydroxynaphthalene-2,7-disulfonate, 2,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-, disodium salt, disodium;4-acetamido-5-hydroxynaphthalene-2,7-disulfonate, Disodium 4-(acetylamino)-5-hydroxynaphthalene-2,7-disulphonate, 2,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-, sodium salt (1:2)
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H9NNa2O8S2 |
| Molecular Weight | 404.95648 g/mol |
| XLogP | -5.68 |
| Topological Polar Surface Area (TPSA) | 180.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 404.95648 Da |
| Heavy Atoms | 25 |
| Complexity | 636.0 |
| SMILES | CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C=C2O)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | CJRBREZYNHILPS-UHFFFAOYSA-L |
The XLogP value of -5.68 indicates that 2,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-, sodium salt (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.0 Ų indicates high polarity, suggesting 2,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-, sodium salt (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-, sodium salt (1:2) has 2 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 2,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-, sodium salt (1:2) is 16698-16-1.
The molecular formula of 2,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-, sodium salt (1:2) is C12H9NNa2O8S2.
The molecular weight of 2,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-, sodium salt (1:2) is 404.95648 g/mol.
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