1,8-Disulfoanthraquinone
TL;DR: 1,8-Disulfoanthraquinone (CAS 82-48-4) is a chemical compound with molecular formula C14H8O8S2 and molecular weight 367.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dioxoanthracene-1,8-disulfonic acid
Also Known As: 1,8-Disulfoanthraquinone, 1,8-ANTHRAQUINONEDISULFONIC ACID, 1,8-Anthrachinondisulfosaure, 1,8-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-, anthraquinone-1,8-disulfonic acid
| Molecular Formula | C14H8O8S2 |
|---|---|
| Molecular Weight | 367.97 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.96606 |
| Heavy Atoms | 24 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 82-48-4 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C3=C(C2=O)C=CC=C3S(=O)(=O)O |
| InChIKey | IJNPIHLZSZCGOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,8-Disulfoanthraquinone (CAS 82-48-4), with molecular formula C14H8O8S2 and molecular weight 367.97 g/mol. IUPAC: 9,10-dioxoanthracene-1,8-disulfonic acid.
Chemical Property Profile of 1,8-Disulfoanthraquinone
Property Insights of 1,8-Disulfoanthraquinone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Disulfoanthraquinone. The TPSA of 160.0 Ų indicates high polarity, suggesting 1,8-Disulfoanthraquinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,8-Disulfoanthraquinone has 2 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 1,8-Disulfoanthraquinone?
The CAS number of 1,8-Disulfoanthraquinone is 82-48-4.
What is the molecular formula of 1,8-Disulfoanthraquinone?
The molecular formula of 1,8-Disulfoanthraquinone is C14H8O8S2.
What is the molecular weight of 1,8-Disulfoanthraquinone?
The molecular weight of 1,8-Disulfoanthraquinone is 367.97 g/mol.
Where can I buy 1,8-Disulfoanthraquinone?
You can request a quote for 1,8-Disulfoanthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Disulfoanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Disulfoanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.