5-Acetylacenaphthene
TL;DR: 5-Acetylacenaphthene (CAS 10047-18-4) is a chemical compound with molecular formula C14H12O and molecular weight 196.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,2-dihydroacenaphthylen-5-yl)ethanone
Also Known As: 5-Acetylacenaphthene, 1-(1,2-dihydroacenaphthylen-5-yl)ethanone, Acenaphthene, 5-acetyl-, Ketone, 5-acenaphthenyl methyl, Acenaphthene,5-acetyl
| Molecular Formula | C14H12O |
|---|---|
| Molecular Weight | 196.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.08882 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 10047-18-4 |
|---|---|
| SMILES | CC(=O)C1=CC=C2CCC3=C2C1=CC=C3 |
| InChIKey | SYGRLGANSVWJGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Acetylacenaphthene (CAS 10047-18-4), with molecular formula C14H12O and molecular weight 196.09 g/mol. IUPAC: 1-(1,2-dihydroacenaphthylen-5-yl)ethanone.
Chemical Property Profile of 5-Acetylacenaphthene
Property Insights of 5-Acetylacenaphthene
The XLogP value of 3.7 indicates that 5-Acetylacenaphthene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Acetylacenaphthene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetylacenaphthene 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 5-Acetylacenaphthene?
The CAS number of 5-Acetylacenaphthene is 10047-18-4.
What is the molecular formula of 5-Acetylacenaphthene?
The molecular formula of 5-Acetylacenaphthene is C14H12O.
What is the molecular weight of 5-Acetylacenaphthene?
The molecular weight of 5-Acetylacenaphthene is 196.09 g/mol.
Where can I buy 5-Acetylacenaphthene?
You can request a quote for 5-Acetylacenaphthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetylacenaphthene?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetylacenaphthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.