TL;DR: Sodium chromotropate (CAS 129-96-4) is a chemical compound with molecular formula C10H6Na2O8S2 and molecular weight 363.92996 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;4,5-dihydroxynaphthalene-2,7-disulfonate
Also Known As: Sodium chromotropate, Chromotropic acid disodium salt, Disodium chromotropate, mordantbrown, Mordant Brown 7
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H6Na2O8S2 |
| Molecular Weight | 363.92996 g/mol |
| XLogP | -5.93 |
| Topological Polar Surface Area (TPSA) | 172.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 363.92996 Da |
| Heavy Atoms | 22 |
| Complexity | 480.0 |
| SMILES | C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | AFGPCIMUGMJQPD-UHFFFAOYSA-L |
The XLogP value of -5.93 indicates that Sodium chromotropate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.0 Ų indicates high polarity, suggesting Sodium chromotropate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sodium chromotropate 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 Sodium chromotropate is 129-96-4.
The molecular formula of Sodium chromotropate is C10H6Na2O8S2.
The molecular weight of Sodium chromotropate is 363.92996 g/mol.
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