Theaspirone A
TL;DR: Theaspirone A (CAS 80722-28-7) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one
Also Known As: Theaspirone A, Theaspirone, Theaspirones, J3.356.052D, 2,6,10,10-TETRAMETHYL-1-OXASPIRO[4.5]DEC-6-EN-8-ONE
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 2.8694 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 327.42764 |
Chemical Identifiers
| CAS Number | 80722-28-7 |
|---|---|
| SMILES | CC1CCC2(O1)C(=CC(=O)CC2(C)C)C |
Product Overview
Theaspirone A (CAS 80722-28-7), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one.
Chemical Property Profile of Theaspirone A
Property Insights of Theaspirone A
The XLogP value of 2.8694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theaspirone A. With a topological polar surface area (TPSA) of 26.3 Ų, Theaspirone A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Theaspirone A has 0 hydrogen bond donor(s) and 2 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 Theaspirone A?
The CAS number of Theaspirone A is 80722-28-7.
What is the molecular formula of Theaspirone A?
The molecular formula of Theaspirone A is C13H20O2.
What is the molecular weight of Theaspirone A?
The molecular weight of Theaspirone A is 208.15 g/mol.
Where can I buy Theaspirone A?
You can request a quote for Theaspirone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theaspirone A?
Yes, KEHONG BIO provides custom synthesis services for Theaspirone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.