3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate
TL;DR: 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate (CAS 78226-90-1) 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.
(5,8-diacetyloxy-7-methyl-9,10-dioxoanthracen-1-yl) acetate
Also Known As: (5,8-diacetyloxy-7-methyl-9,10-dioxoanthracen-1-yl) acetate, 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-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 | 78226-90-1 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1OC(=O)C)C(=O)C3=C(C2=O)C=CC=C3OC(=O)C)OC(=O)C |
| InChIKey | RIHOFCWNIGPOQX-UHFFFAOYSA-N |
Product Overview
3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate (CAS 78226-90-1), with molecular formula C21H16O8 and molecular weight 396.08 g/mol. IUPAC: (5,8-diacetyloxy-7-methyl-9,10-dioxoanthracen-1-yl) acetate.
Chemical Property Profile of 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate
Property Insights of 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate. Following Lipinski's Rule of Five, 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl 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 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate?
The CAS number of 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate is 78226-90-1.
What is the molecular formula of 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate?
The molecular formula of 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate is C21H16O8.
What is the molecular weight of 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate?
The molecular weight of 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate is 396.08 g/mol.
Where can I buy 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate?
You can request a quote for 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-9,10-dioxo-9,10-dihydroanthracene-1,4,5-triyl triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.