Sodium anthraquinone-2,6-disulfonate
TL;DR: Sodium anthraquinone-2,6-disulfonate (CAS 853-68-9) is a chemical compound with molecular formula C14H6Na2O8S2 and molecular weight 411.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;9,10-dioxoanthracene-2,6-disulfonate
Also Known As: Anthraquinone-2,6-disulfonic acid disodium salt, Disodium anthraquinone-2,6-disulfonate, Disodium Anthraquinone-26-disulfonate, Sodium anthraquinone-2,6-disulfonate, Disodium 2,6-disulfoanthraquinone
| Molecular Formula | C14H6Na2O8S2 |
|---|---|
| Molecular Weight | 411.93 g/mol |
| LogP | -5.72 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 411.92996 |
| Heavy Atoms | 26 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 853-68-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | PKOVWEHDVFYKHL-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium anthraquinone-2,6-disulfonate (CAS 853-68-9), with molecular formula C14H6Na2O8S2 and molecular weight 411.93 g/mol. IUPAC: disodium;9,10-dioxoanthracene-2,6-disulfonate.
Chemical Property Profile of Sodium anthraquinone-2,6-disulfonate
Property Insights of Sodium anthraquinone-2,6-disulfonate
The XLogP value of -5.72 indicates that Sodium anthraquinone-2,6-disulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 165.0 Ų indicates high polarity, suggesting Sodium anthraquinone-2,6-disulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sodium anthraquinone-2,6-disulfonate has 0 hydrogen bond donor(s) and 8 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 Sodium anthraquinone-2,6-disulfonate?
The CAS number of Sodium anthraquinone-2,6-disulfonate is 853-68-9.
What is the molecular formula of Sodium anthraquinone-2,6-disulfonate?
The molecular formula of Sodium anthraquinone-2,6-disulfonate is C14H6Na2O8S2.
What is the molecular weight of Sodium anthraquinone-2,6-disulfonate?
The molecular weight of Sodium anthraquinone-2,6-disulfonate is 411.93 g/mol.
Where can I buy Sodium anthraquinone-2,6-disulfonate?
You can request a quote for Sodium anthraquinone-2,6-disulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium anthraquinone-2,6-disulfonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium anthraquinone-2,6-disulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.