1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid
TL;DR: 1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid (CAS 10114-40-6) is a chemical compound with molecular formula C14H8O14S2 and molecular weight 463.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,4,5,7,8-hexahydroxy-9,10-dioxoanthracene-2,6-disulfonic acid
Also Known As: Acid Alizarin Blue BB, Anthracene Blue SWX, alizarin cyanin BBS free acid, 1,3,4,5,7,8-hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, 1,3,4,5,7,8-hexahydroxy-9,10-dioxoanthracene-2,6-disulfonic acid
| Molecular Formula | C14H8O14S2 |
|---|---|
| Molecular Weight | 463.94 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 281.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 2 |
| Exact Mass | 463.93555 |
| Heavy Atoms | 30 |
| Complexity | 870.0 |
Chemical Identifiers
| CAS Number | 10114-40-6 |
|---|---|
| SMILES | C12=C(C(=C(C(=C1O)O)S(=O)(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)S(=O)(=O)O)O |
| InChIKey | PSJDSNYTNOHIER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid (CAS 10114-40-6), with molecular formula C14H8O14S2 and molecular weight 463.94 g/mol. IUPAC: 1,3,4,5,7,8-hexahydroxy-9,10-dioxoanthracene-2,6-disulfonic acid.
Chemical Property Profile of 1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid
Property Insights of 1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid. The TPSA of 281.0 Ų indicates high polarity, suggesting 1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid?
The CAS number of 1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid is 10114-40-6.
What is the molecular formula of 1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid?
The molecular formula of 1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid is C14H8O14S2.
What is the molecular weight of 1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid?
The molecular weight of 1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid is 463.94 g/mol.
Where can I buy 1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid?
You can request a quote for 1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,5,7,8-Hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.