Diacerein
TL;DR: Diacerein (CAS 13739-02-1) is a chemical compound with molecular formula C19H12O8 and molecular weight 368.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-diacetyloxy-9,10-dioxoanthracene-2-carboxylic acid
Also Known As: Diacerein, Diacetylrhein, Artrodar, Diacerhein, Fisiodar
| Molecular Formula | C19H12O8 |
|---|---|
| Molecular Weight | 368.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.05322 |
| Heavy Atoms | 27 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 13739-02-1 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3OC(=O)C)C(=O)O |
| InChIKey | TYNLGDBUJLVSMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diacerein (CAS 13739-02-1), with molecular formula C19H12O8 and molecular weight 368.05 g/mol. IUPAC: 4,5-diacetyloxy-9,10-dioxoanthracene-2-carboxylic acid.
Chemical Property Profile of Diacerein
Property Insights of Diacerein
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diacerein. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diacerein. Following Lipinski's Rule of Five, Diacerein has 1 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 Diacerein?
The CAS number of Diacerein is 13739-02-1.
What is the molecular formula of Diacerein?
The molecular formula of Diacerein is C19H12O8.
What is the molecular weight of Diacerein?
The molecular weight of Diacerein is 368.05 g/mol.
Where can I buy Diacerein?
You can request a quote for Diacerein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacerein?
Yes, KEHONG BIO provides custom synthesis services for Diacerein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.