Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate
TL;DR: Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate (CAS 247933-23-9) 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.
methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate
Also Known As: J1.203.616G, 2-Anthraceneacetic acid, 3-acetyl-9,10-dihydro-4,5-dihydroxy, 3-Acetyl-4,5-dihydroxy-9,10-dihydro-9,10-dioxoanthracene-2-acetic acid methyl ester, methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate, 3-Acetyl-4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-acetic acid methyl ester
| Molecular Formula | C19H14O7 |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 1.7913 |
| Topological Polar Surface Area | 117.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.07394 |
| Heavy Atoms | 26 |
| Complexity | 1001.4326 |
Chemical Identifiers
| CAS Number | 247933-23-9 |
|---|---|
| SMILES | CC(=O)C1=C(C2=C(C=C1CC(=O)OC)C(=O)C3=C(C2=O)C(=CC=C3)O)O |
Product Overview
Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate (CAS 247933-23-9), with molecular formula C19H14O7 and molecular weight 354.07 g/mol. IUPAC: methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate.
Chemical Property Profile of Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate
Property Insights of Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate
The XLogP value of 1.7913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate. The TPSA of 117.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate. Following Lipinski's Rule of Five, Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate has 2 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 Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate?
The CAS number of Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate is 247933-23-9.
What is the molecular formula of Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate?
The molecular formula of Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate is C19H14O7.
What is the molecular weight of Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate?
The molecular weight of Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate is 354.07 g/mol.
Where can I buy Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate?
You can request a quote for Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.