Stegobinone
TL;DR: Stegobinone (CAS 110996-50-4) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,5-trimethyl-6-(3-oxopentan-2-yl)-2,3-dihydropyran-4-one
Also Known As: Stegobinone, J3.114.709C, 2,3,5-trimethyl-6-(3-oxopentan-2-yl)-2,3-dihydro-4h-pyran-4-one, 2,3,5-trimethyl-6-(3-oxopentan-2-yl)-2,3-dihydropyran-4-one, 2,3-Dihydro-2,3,5-trimethyl-6-(1-methyl-2-oxobutyl)-4H-pyran-4-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H20O3 |
| Molecular Weight | 224.14125 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.14125 Da |
| Heavy Atoms | 16 |
| Complexity | 341.0 |
| SMILES | CCC(=O)C(C)C1=C(C(=O)C(C(O1)C)C)C |
| InChIKey | AZAKUWBBRWFVEW-UHFFFAOYSA-N |
Chemical Property Profile of Stegobinone
Property Insights of Stegobinone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stegobinone. With a topological polar surface area (TPSA) of 43.4 Ų, Stegobinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Stegobinone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Stegobinone?
The CAS number of Stegobinone is 110996-50-4.
What is the molecular formula of Stegobinone?
The molecular formula of Stegobinone is C13H20O3.
What is the molecular weight of Stegobinone?
The molecular weight of Stegobinone is 224.14125 g/mol.
Where can I buy Stegobinone?
You can request a quote for Stegobinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Stegobinone?
Yes, CoreyChem provides custom synthesis services for Stegobinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.