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1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione
TL;DR: 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione (CAS 77572-78-2) is a chemical compound with molecular formula C19H14O6 and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyloxy-9,10-dioxoanthracen-2-yl)methyl acetate
Also Known As: 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione, 9,10-Anthracenedione, 1-(acetyloxy)-2-[(acetyloxy)methyl]-, (1-acetyloxy-9,10-dioxoanthracen-2-yl)methyl acetate, [1-(acetyloxy)-9,10-dioxo-9,10-dihydroanthracen-2-yl]methyl acetate, 1-(Acetyloxy)-2-((acetyloxy)methyl)-9,10-anthracenedione
| Molecular Formula | C19H14O6 |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.07904 |
| Heavy Atoms | 25 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 77572-78-2 |
|---|---|
| SMILES | CC(=O)OCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC(=O)C |
| InChIKey | SSTMSQRUVFMTLN-UHFFFAOYSA-N |
Product Overview
1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione (CAS 77572-78-2), with molecular formula C19H14O6 and molecular weight 338.08 g/mol. IUPAC: (1-acetyloxy-9,10-dioxoanthracen-2-yl)methyl acetate.
Chemical Property Profile of 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione
Property Insights of 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione. Following Lipinski's Rule of Five, 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione has 0 hydrogen bond donor(s) and 6 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 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione?
The CAS number of 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione is 77572-78-2.
What is the molecular formula of 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione?
The molecular formula of 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione is C19H14O6.
What is the molecular weight of 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione?
The molecular weight of 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione is 338.08 g/mol.
Where can I buy 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione?
You can request a quote for 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(Acetyloxy)-2-[(acetyloxy)methyl]-9,10-anthracenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.