Phenalenone
TL;DR: Phenalenone (CAS 548-39-0) is a chemical compound with molecular formula C13H8O and molecular weight 180.05751 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenalen-1-one
Also Known As: Phenalen-1-one, PERINAPHTHENONE, 1H-Phenalen-1-one, Phenalenone, Phenalone
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H8O |
| Molecular Weight | 180.05751 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.05751 Da |
| Heavy Atoms | 14 |
| Complexity | 279.0 |
| SMILES | C1=CC2=C3C(=C1)C=CC(=O)C3=CC=C2 |
| InChIKey | WWBGWPHHLRSTFI-UHFFFAOYSA-N |
Product Description
Applications: Phenalenone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as analytical chemistry as a reagent, standard, or reference material. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, Phenalenone (CAS 548-39-0) has the molecular formula C13H8O and a molecular weight of 180.06 g/mol. Synonyms include Phenalen-1-one and PERINAPHTHENONE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Phenalenone
Property Insights of Phenalenone
The XLogP value of 3.2 indicates that Phenalenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Phenalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenalenone 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
What is the CAS number of Phenalenone?
The CAS number of Phenalenone is 548-39-0.
What is the molecular formula of Phenalenone?
The molecular formula of Phenalenone is C13H8O.
What is the molecular weight of Phenalenone?
The molecular weight of Phenalenone is 180.05751 g/mol.
What are the applications of Phenalenone?
Phenalenone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as analytical chemistry as a reagent, standard, or reference material. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Phenalenone?
You can request a quote for Phenalenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenalenone?
Yes, CoreyChem provides custom synthesis services for Phenalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.