7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt
TL;DR: 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt (CAS 69658-06-6) is a chemical compound with molecular formula C17H8Na2O7S2 and molecular weight 433.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;7-oxobenzo[a]phenalene-3,9-disulfonate
Also Known As: 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt, disodium 7-oxobenzo[a]phenalene-3,9-disulfonate, 7H-Benz(de)anthracene-3,9-disulfonic acid, 7-oxo-, sodium salt, disodium 7-oxo-7H-benzo[de]anthracene-3,9-disulfonate, 7H-Benz[de]anthracene-3,9-disulfonic acid, 7-oxo-, sodium salt
| Molecular Formula | C17H8Na2O7S2 |
|---|---|
| Molecular Weight | 433.95 g/mol |
| LogP | -4.1326 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 433.95068 |
| Heavy Atoms | 28 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 69658-06-6 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)C4=C3C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | BDGBWGIYCXNXHH-UHFFFAOYSA-L |
Product Overview
7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt (CAS 69658-06-6), with molecular formula C17H8Na2O7S2 and molecular weight 433.95 g/mol. IUPAC: disodium;7-oxobenzo[a]phenalene-3,9-disulfonate.
Chemical Property Profile of 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt
Property Insights of 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt
The XLogP value of -4.1326 indicates that 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 148.0 Ų indicates high polarity, suggesting 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt?
The CAS number of 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt is 69658-06-6.
What is the molecular formula of 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt?
The molecular formula of 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt is C17H8Na2O7S2.
What is the molecular weight of 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt?
The molecular weight of 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt is 433.95 g/mol.
Where can I buy 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt?
You can request a quote for 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxo-7H-benz(de)anthracene-3,9-disulfonic acid sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.