3-Desoxyneopetasol
TL;DR: 3-Desoxyneopetasol (CAS 13902-42-6) is a chemical compound with molecular formula C15H22O and molecular weight 218.16707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4aR,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Also Known As: Neopetasane, Alloeremophilone, Neopetasan, 3-Desoxyneopetasol, Neopetasone
Technical Specifications
| Molecular Formula | C15H22O |
| Molecular Weight | 218.16707 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.16707 Da |
| Heavy Atoms | 16 |
| Complexity | 364.0 |
| SMILES | C[C@H]1CCCC2=CC(=O)[C@H](C[C@]12C)C(=C)C |
| InChIKey | DIZRSLUNVNGBPA-NJZAAPMLSA-N |
Chemical Property Profile of 3-Desoxyneopetasol
Property Insights of 3-Desoxyneopetasol
The XLogP value of 4.2 indicates that 3-Desoxyneopetasol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Desoxyneopetasol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Desoxyneopetasol 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 3-Desoxyneopetasol?
The CAS number of 3-Desoxyneopetasol is 13902-42-6.
What is the molecular formula of 3-Desoxyneopetasol?
The molecular formula of 3-Desoxyneopetasol is C15H22O.
What is the molecular weight of 3-Desoxyneopetasol?
The molecular weight of 3-Desoxyneopetasol is 218.16707 g/mol.
Where can I buy 3-Desoxyneopetasol?
You can request a quote for 3-Desoxyneopetasol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Desoxyneopetasol?
Yes, CoreyChem provides custom synthesis services for 3-Desoxyneopetasol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.