3-菲基甲基酮
TL;DR: 3-菲基甲基酮 (CAS 2039-76-1) 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.
3-菲基甲基酮
1-phenanthren-3-ylethanone
Also Known As: 3-Acetylphenanthrene, 1-(phenanthren-3-yl)ethanone, 1-phenanthren-3-ylethanone, Ethanone, 1-(3-phenanthrenyl)-, 1-(3-Phenanthryl)ethanone
| 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 | 2039-76-1 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1 |
| InChIKey | JKVNPRNAHRHQDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-菲基甲基酮 (CAS 2039-76-1), with molecular formula C16H12O and molecular weight 220.09 g/mol. IUPAC: 1-phenanthren-3-ylethanone.
Chemical Property Profile of 3-菲基甲基酮
Property Insights of 3-菲基甲基酮
The XLogP value of 4.1 indicates that 3-菲基甲基酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-菲基甲基酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-菲基甲基酮 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 3-菲基甲基酮?
The CAS number of 3-菲基甲基酮 is 2039-76-1.
What is the molecular formula of 3-菲基甲基酮?
The molecular formula of 3-菲基甲基酮 is C16H12O.
What is the molecular weight of 3-菲基甲基酮?
The molecular weight of 3-菲基甲基酮 is 220.09 g/mol.
Where can I buy 3-菲基甲基酮?
You can request a quote for 3-菲基甲基酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-菲基甲基酮?
Yes, KEHONG BIO provides custom synthesis services for 3-菲基甲基酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.