TL;DR: Bordeaux Red (CAS 5858-33-3) is a chemical compound with molecular formula C20H12N2Na2O7S2 and molecular weight 501.98813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalene-2,7-disulfonate
Also Known As: Bordeaux Red, Acid Red 17, Acid Bordeaux, Bordeaux R, Azo Bordeaux
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H12N2Na2O7S2 |
| Molecular Weight | 501.98813 g/mol |
| XLogP | -2.07 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 501.98813 Da |
| Heavy Atoms | 33 |
| Complexity | 854.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | LHRXTFDXJQAGAV-UHFFFAOYSA-L |
The XLogP value of -2.07 indicates that Bordeaux Red is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.0 Ų indicates high polarity, suggesting Bordeaux Red may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bordeaux Red has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bordeaux Red is 5858-33-3.
The molecular formula of Bordeaux Red is C20H12N2Na2O7S2.
The molecular weight of Bordeaux Red is 501.98813 g/mol.
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