(-)-beta-Thujone
TL;DR: (-)-beta-Thujone (CAS 33766-30-2) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4R,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
Also Known As: (-)-beta-thujone, (-)-Isothujone, trans-thujone, beta-Thujone, Isothujone, (-)-
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.2576 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 206.91832 |
Chemical Identifiers
| CAS Number | 33766-30-2 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2C[C@@]2(CC1=O)C(C)C |
Product Overview
(-)-beta-Thujone (CAS 33766-30-2), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: (1R,4R,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one.
Chemical Property Profile of (-)-beta-Thujone
Property Insights of (-)-beta-Thujone
The XLogP value of 2.2576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-beta-Thujone. With a topological polar surface area (TPSA) of 17.07 Ų, (-)-beta-Thujone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (-)-beta-Thujone 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 (-)-beta-Thujone?
The CAS number of (-)-beta-Thujone is 33766-30-2.
What is the molecular formula of (-)-beta-Thujone?
The molecular formula of (-)-beta-Thujone is C10H16O.
What is the molecular weight of (-)-beta-Thujone?
The molecular weight of (-)-beta-Thujone is 152.12 g/mol.
Where can I buy (-)-beta-Thujone?
You can request a quote for (-)-beta-Thujone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-beta-Thujone?
Yes, KEHONG BIO provides custom synthesis services for (-)-beta-Thujone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.