Methyl 2-phenanthryl ketone
TL;DR: Methyl 2-phenanthryl ketone (CAS 5960-69-0) 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-phenanthren-2-ylethanone
Also Known As: 2-Acetylphenanthrene, 1-(2-Phenanthryl)ethanone, Methyl 2-phenanthryl ketone, 1-phenanthren-2-ylethanone, Ethanone, 1-(2-phenanthrenyl)-
| Molecular Formula | C16H12O |
|---|---|
| Molecular Weight | 220.09 g/mol |
| LogP | 4.1 |
| 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 | 296.0 |
Chemical Identifiers
| CAS Number | 5960-69-0 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C=C2 |
| InChIKey | CWILMKDSVMROHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-phenanthryl ketone (CAS 5960-69-0), with molecular formula C16H12O and molecular weight 220.09 g/mol. IUPAC: 1-phenanthren-2-ylethanone.
Chemical Property Profile of Methyl 2-phenanthryl ketone
Property Insights of Methyl 2-phenanthryl ketone
The XLogP value of 4.1 indicates that Methyl 2-phenanthryl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Methyl 2-phenanthryl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-phenanthryl ketone 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 Methyl 2-phenanthryl ketone?
The CAS number of Methyl 2-phenanthryl ketone is 5960-69-0.
What is the molecular formula of Methyl 2-phenanthryl ketone?
The molecular formula of Methyl 2-phenanthryl ketone is C16H12O.
What is the molecular weight of Methyl 2-phenanthryl ketone?
The molecular weight of Methyl 2-phenanthryl ketone is 220.09 g/mol.
Where can I buy Methyl 2-phenanthryl ketone?
You can request a quote for Methyl 2-phenanthryl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-phenanthryl ketone?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-phenanthryl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.