Petasitolone
TL;DR: Petasitolone (CAS 35124-22-2) is a chemical compound with molecular formula C15H24O2 and molecular weight 236.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,5S,8aR)-3-(2-hydroxypropan-2-yl)-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
Also Known As: Petasitolone, 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3-(1-hydroxy-1-methylethyl)-4a,5-dimethyl-, (4aR,5S,8aR)-, 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3-(1-hydroxy-1-methylethyl)-4a,5-dimethyl-, (4ar-(4aalpha,5alpha,8aalpha))-, (4aR,5S,8aR)-3-(2-hydroxypropan-2-yl)-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one, (4aR)-4a,5,6,7,8,8abeta-Hexahydro-3-(1-hydroxy-1-methylethyl)-4a,5beta-dimethylnaphthalen-2(1H)-one
| Molecular Formula | C15H24O2 |
|---|---|
| Molecular Weight | 236.18 g/mol |
| LogP | 3.099 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.17763 |
| Heavy Atoms | 17 |
| Complexity | 361.60834 |
Chemical Identifiers
| CAS Number | 35124-22-2 |
|---|---|
| SMILES | C[C@H]1CCC[C@H]2[C@@]1(C=C(C(=O)C2)C(C)(C)O)C |
Product Overview
Petasitolone (CAS 35124-22-2), with molecular formula C15H24O2 and molecular weight 236.18 g/mol. IUPAC: (4aR,5S,8aR)-3-(2-hydroxypropan-2-yl)-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one.
Chemical Property Profile of Petasitolone
Property Insights of Petasitolone
The XLogP value of 3.099 indicates that Petasitolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Petasitolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Petasitolone 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 Petasitolone?
The CAS number of Petasitolone is 35124-22-2.
What is the molecular formula of Petasitolone?
The molecular formula of Petasitolone is C15H24O2.
What is the molecular weight of Petasitolone?
The molecular weight of Petasitolone is 236.18 g/mol.
Where can I buy Petasitolone?
You can request a quote for Petasitolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Petasitolone?
Yes, KEHONG BIO provides custom synthesis services for Petasitolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.