Petasol
TL;DR: Petasol (CAS 64236-38-0) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Also Known As: Petasol, Sencathenone, (+)-Petasol, (3S,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one, 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-6-hydroxy-4a,5-dimethyl-3-(1-methylethenyl)-, (3S-(3alpha,4abeta,5beta,6alpha))-
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 2.875 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 393.726 |
Chemical Identifiers
| CAS Number | 64236-38-0 |
|---|---|
| SMILES | C[C@H]1[C@@H](CCC2=CC(=O)[C@@H](C[C@]12C)C(=C)C)O |
Product Overview
Petasol (CAS 64236-38-0), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (3S,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one.
Chemical Property Profile of Petasol
Property Insights of Petasol
The XLogP value of 2.875 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Petasol. With a topological polar surface area (TPSA) of 37.3 Ų, Petasol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Petasol has 1 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 Petasol?
The CAS number of Petasol is 64236-38-0.
What is the molecular formula of Petasol?
The molecular formula of Petasol is C15H22O2.
What is the molecular weight of Petasol?
The molecular weight of Petasol is 234.16 g/mol.
Where can I buy Petasol?
You can request a quote for Petasol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Petasol?
Yes, KEHONG BIO provides custom synthesis services for Petasol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.