Phaseolinone
TL;DR: Phaseolinone (CAS 85431-61-4) is a chemical compound with molecular formula C15H20O5 and molecular weight 280.13107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1aS,6R,7R,7aR,7bR)-6-hydroxy-1a-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-7,7a-dimethyl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
Also Known As: Phaseolinone, (+)-Phaseolinone, (+)- Phaseolinone, PHASEOLINONE, (+)-, (1aS,6R,7R,7aR,7bR)-6-hydroxy-1a-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-7,7a-dimethyl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
Technical Specifications
| Molecular Formula | C15H20O5 |
| Molecular Weight | 280.13107 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.13107 Da |
| Heavy Atoms | 20 |
| Complexity | 528.0 |
| SMILES | C[C@H]1[C@@H](CCC2=CC(=O)[C@]3([C@@H]([C@]12C)O3)[C@]4(CO4)CO)O |
| InChIKey | DDKJQSAECJSUNP-OCZRQZLOSA-N |
Chemical Property Profile of Phaseolinone
Property Insights of Phaseolinone
The XLogP value of -0.5 indicates that Phaseolinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phaseolinone. Following Lipinski's Rule of Five, Phaseolinone has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phaseolinone?
The CAS number of Phaseolinone is 85431-61-4.
What is the molecular formula of Phaseolinone?
The molecular formula of Phaseolinone is C15H20O5.
What is the molecular weight of Phaseolinone?
The molecular weight of Phaseolinone is 280.13107 g/mol.
Where can I buy Phaseolinone?
You can request a quote for Phaseolinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phaseolinone?
Yes, CoreyChem provides custom synthesis services for Phaseolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.