Emodin Triacetate
TL;DR: Emodin Triacetate (CAS 6030-60-0) is a chemical compound with molecular formula C21H16O8 and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5-diacetyloxy-7-methyl-9,10-dioxoanthracen-2-yl) acetate
Also Known As: Emodin Triacetate, Emodin-tetraacetate, Diacerein Impurity 8, Diacerein Impurity 11, 6-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,3,8-triyl triacetate
| Molecular Formula | C21H16O8 |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.0845 |
| Heavy Atoms | 29 |
| Complexity | 728.0 |
Chemical Identifiers
| CAS Number | 6030-60-0 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)OC(=O)C)C(=O)C3=C(C2=O)C=C(C=C3OC(=O)C)OC(=O)C |
| InChIKey | RVPRUQJQDGWKRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Emodin Triacetate (CAS 6030-60-0), with molecular formula C21H16O8 and molecular weight 396.08 g/mol. IUPAC: (4,5-diacetyloxy-7-methyl-9,10-dioxoanthracen-2-yl) acetate.
Chemical Property Profile of Emodin Triacetate
Property Insights of Emodin Triacetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Emodin Triacetate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Emodin Triacetate. Following Lipinski's Rule of Five, Emodin Triacetate 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 Emodin Triacetate?
The CAS number of Emodin Triacetate is 6030-60-0.
What is the molecular formula of Emodin Triacetate?
The molecular formula of Emodin Triacetate is C21H16O8.
What is the molecular weight of Emodin Triacetate?
The molecular weight of Emodin Triacetate is 396.08 g/mol.
Where can I buy Emodin Triacetate?
You can request a quote for Emodin Triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emodin Triacetate?
Yes, KEHONG BIO provides custom synthesis services for Emodin Triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.