9-Acetylanthracene
TL;DR: 9-Acetylanthracene (CAS 784-04-3) is a chemical compound with molecular formula C16H12O and molecular weight 220.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-anthracen-9-ylethanone
Also Known As: 9-Acetylanthracene, 1-(anthracen-9-yl)ethanone, 9-Acetoanthracene, 9-acetylantracene, 9-Anthryl methyl ketone
| Molecular Formula | C16H12O |
|---|---|
| Molecular Weight | 220.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.08882 |
| Heavy Atoms | 17 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 784-04-3 |
|---|---|
| SMILES | CC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31 |
| InChIKey | NXXNVJDXUHMAHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Acetylanthracene (CAS 784-04-3), with molecular formula C16H12O and molecular weight 220.09 g/mol. IUPAC: 1-anthracen-9-ylethanone.
Chemical Property Profile of 9-Acetylanthracene
Property Insights of 9-Acetylanthracene
The XLogP value of 4.2 indicates that 9-Acetylanthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 9-Acetylanthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Acetylanthracene has 0 hydrogen bond donor(s) and 1 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 9-Acetylanthracene?
The CAS number of 9-Acetylanthracene is 784-04-3.
What is the molecular formula of 9-Acetylanthracene?
The molecular formula of 9-Acetylanthracene is C16H12O.
What is the molecular weight of 9-Acetylanthracene?
The molecular weight of 9-Acetylanthracene is 220.09 g/mol.
Where can I buy 9-Acetylanthracene?
You can request a quote for 9-Acetylanthracene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Acetylanthracene?
Yes, KEHONG BIO provides custom synthesis services for 9-Acetylanthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.