Tropone
TL;DR: Tropone (CAS 539-80-0) is a chemical compound with molecular formula C7H6O and molecular weight 106.04186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclohepta-2,4,6-trien-1-one
Also Known As: Tropone, cyclohepta-2,4,6-trien-1-one, Cycloheptatrienone, Tropon, Panose
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6O |
| Molecular Weight | 106.04186 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 106.04186 Da |
| Heavy Atoms | 8 |
| Complexity | 155.0 |
| SMILES | C1=CC=CC(=O)C=C1 |
| InChIKey | QVWDCTQRORVHHT-UHFFFAOYSA-N |
Product Description
Applications: Tropone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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).
Tropone (CAS 539-80-0) is a heterocyclic building block with the molecular formula C7H6O and a molecular weight of 106.04 g/mol. Synonyms include Tropone and cyclohepta-2,4,6-trien-1-one.
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 Tropone
Property Insights of Tropone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tropone. With a topological polar surface area (TPSA) of 17.1 Ų, Tropone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tropone 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 Tropone?
The CAS number of Tropone is 539-80-0.
What is the molecular formula of Tropone?
The molecular formula of Tropone is C7H6O.
What is the molecular weight of Tropone?
The molecular weight of Tropone is 106.04186 g/mol.
What are the applications of Tropone?
Tropone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy Tropone?
You can request a quote for Tropone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tropone?
Yes, CoreyChem provides custom synthesis services for Tropone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.