3-Thujanone
TL;DR: 3-Thujanone (CAS 1125-12-8) is a chemical compound with molecular formula C10H16O and molecular weight 152.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
Also Known As: 3-Thujanone, Tanacetone, THUJONE, Chrysanthone, alpha-Thujone
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16O |
| Molecular Weight | 152.12012 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.12012 Da |
| Heavy Atoms | 11 |
| Complexity | 207.0 |
| Boiling Point | 200.00 to 201.00 °C. @ 760.00 mm Hg |
| SMILES | CC1C2CC2(CC1=O)C(C)C |
| InChIKey | USMNOWBWPHYOEA-UHFFFAOYSA-N |
Product Description
Applications: 3-Thujanone is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. 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 pharmaceutical intermediate supplied by CoreyChem, 3-Thujanone (CAS 1125-12-8) has the molecular formula C10H16O and a molecular weight of 152.12 g/mol. Synonyms include 3-Thujanone and Tanacetone.
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 3-Thujanone
Property Insights of 3-Thujanone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thujanone. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Thujanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thujanone 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 3-Thujanone?
The CAS number of 3-Thujanone is 1125-12-8.
What is the molecular formula of 3-Thujanone?
The molecular formula of 3-Thujanone is C10H16O.
What is the molecular weight of 3-Thujanone?
The molecular weight of 3-Thujanone is 152.12012 g/mol.
What are the applications of 3-Thujanone?
3-Thujanone is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. 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 3-Thujanone?
You can request a quote for 3-Thujanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Thujanone?
Yes, CoreyChem provides custom synthesis services for 3-Thujanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.