3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
TL;DR: 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate (CAS 130-22-3) is a chemical compound with molecular formula C14H7O7S- and molecular weight 318.99124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dihydroxy-9,10-dioxoanthracene-2-sulfonate
Also Known As: Alizarin Red S, Alizarin S ion(1-), 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate, 3,4-dihydroxy-9,10-dioxoanthracene-2-sulfonate, Sodium; 3,4-dihydroxy-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonate
Technical Specifications
| Molecular Formula | C14H7O7S- |
| Molecular Weight | 318.99124 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 318.99124 Da |
| Heavy Atoms | 22 |
| Complexity | 579.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)S(=O)(=O)[O-] |
| InChIKey | JKYKXTRKURYNGW-UHFFFAOYSA-M |
Chemical Property Profile of 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Property Insights of 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate. The TPSA of 140.0 Ų indicates high polarity, suggesting 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate?
The CAS number of 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate is 130-22-3.
What is the molecular formula of 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate?
The molecular formula of 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate is C14H7O7S-.
What is the molecular weight of 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate?
The molecular weight of 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate is 318.99124 g/mol.
Where can I buy 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate?
You can request a quote for 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate?
Yes, CoreyChem provides custom synthesis services for 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.