Theaspirane
TL;DR: Theaspirane (CAS 36431-72-8) is a chemical compound with molecular formula C13H22O and molecular weight 194.16707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene
Also Known As: Theaspirane, 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene, Theaspirane A, Theaspirane B, cis-Theaspirane
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H22O |
| Molecular Weight | 194.16707 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.16707 Da |
| Heavy Atoms | 14 |
| Complexity | 264.0 |
| Boiling Point | 68.00 to 72.00 °C. @ 3.00 mm Hg |
| Density | 0.926-0.958 |
| Refractive Index | 1.475-1.495 |
| Solubility | Insoluble in water, soluble in fats |
| SMILES | CC1CCC2(O1)C(=CCCC2(C)C)C |
| InChIKey | GYUZHTWCNKINPY-UHFFFAOYSA-N |
Chemical Property Profile of Theaspirane
Property Insights of Theaspirane
The XLogP value of 3.0 indicates that Theaspirane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Theaspirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Theaspirane 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 Theaspirane?
The CAS number of Theaspirane is 36431-72-8.
What is the molecular formula of Theaspirane?
The molecular formula of Theaspirane is C13H22O.
What is the molecular weight of Theaspirane?
The molecular weight of Theaspirane is 194.16707 g/mol.
Where can I buy Theaspirane?
You can request a quote for Theaspirane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Theaspirane?
Yes, CoreyChem provides custom synthesis services for Theaspirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.