(+)-Petasin
TL;DR: (+)-Petasin (CAS 26577-85-5) is a chemical compound with molecular formula C20H28O3 and molecular weight 316.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate
Also Known As: Petasin, (+)-Petasin, PETAFORCE, PETASINE, O-Angeloylsencathenone
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.20 g/mol |
| LogP | 4.3921 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.20386 |
| Heavy Atoms | 23 |
| Complexity | 596.00806 |
Chemical Identifiers
| CAS Number | 26577-85-5 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@@H]1CCC2=CC(=O)[C@@H](C[C@@]2([C@H]1C)C)C(=C)C |
Product Overview
(+)-Petasin (CAS 26577-85-5), with molecular formula C20H28O3 and molecular weight 316.20 g/mol. IUPAC: [(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of (+)-Petasin
Property Insights of (+)-Petasin
The XLogP value of 4.3921 indicates that (+)-Petasin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, (+)-Petasin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Petasin 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
Frequently Asked Questions
What is the CAS number of (+)-Petasin?
The CAS number of (+)-Petasin is 26577-85-5.
What is the molecular formula of (+)-Petasin?
The molecular formula of (+)-Petasin is C20H28O3.
What is the molecular weight of (+)-Petasin?
The molecular weight of (+)-Petasin is 316.20 g/mol.
Where can I buy (+)-Petasin?
You can request a quote for (+)-Petasin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Petasin?
Yes, KEHONG BIO provides custom synthesis services for (+)-Petasin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.