(5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate
TL;DR: (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate (CAS 72049-18-4) is a chemical compound with molecular formula C19H14O7 and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyloxy-4-hydroxy-9,10-dioxoanthracen-2-yl)methyl acetate
Also Known As: Diacerein Impurity 4, Diacerein Impurity 13, (5-acetyloxy-4-hydroxy-9,10-dioxo-anthracen-2-yl)methyl Acetate, (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate
| Molecular Formula | C19H14O7 |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 2.156 |
| Topological Polar Surface Area | 106.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.07394 |
| Heavy Atoms | 26 |
| Complexity | 972.0932 |
Chemical Identifiers
| CAS Number | 72049-18-4 |
|---|---|
| SMILES | CC(=O)OCC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3OC(=O)C |
Product Overview
(5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate (CAS 72049-18-4), with molecular formula C19H14O7 and molecular weight 354.07 g/mol. IUPAC: (5-acetyloxy-4-hydroxy-9,10-dioxoanthracen-2-yl)methyl acetate.
Chemical Property Profile of (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate
Property Insights of (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate
The XLogP value of 2.156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate. The TPSA of 106.97 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate. Following Lipinski's Rule of Five, (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate has 1 hydrogen bond donor(s) and 7 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 (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate?
The CAS number of (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate is 72049-18-4.
What is the molecular formula of (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate?
The molecular formula of (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate is C19H14O7.
What is the molecular weight of (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate?
The molecular weight of (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate is 354.07 g/mol.
Where can I buy (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate?
You can request a quote for (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (5-Acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.