Petasinine
TL;DR: Petasinine (CAS 70474-33-8) is a chemical compound with molecular formula C13H21NO3 and molecular weight 239.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (Z)-2-methylbut-2-enoate
Also Known As: Petasinine, (+)-Petasinine, ANGELOYLPETASINECINE, PETASINECINE ANGELATE, [(1S,2R,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (Z)-2-methylbut-2-enoate
| Molecular Formula | C13H21NO3 |
|---|---|
| Molecular Weight | 239.15 g/mol |
| LogP | 0.9509 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.15215 |
| Heavy Atoms | 17 |
| Complexity | 326.62625 |
Chemical Identifiers
| CAS Number | 70474-33-8 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@H]1CN2CCC[C@H]2[C@H]1CO |
Product Overview
Petasinine (CAS 70474-33-8), with molecular formula C13H21NO3 and molecular weight 239.15 g/mol. IUPAC: [(1S,2R,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of Petasinine
Property Insights of Petasinine
The XLogP value of 0.9509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Petasinine. With a topological polar surface area (TPSA) of 49.77 Ų, Petasinine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Petasinine has 1 hydrogen bond donor(s) and 4 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 Petasinine?
The CAS number of Petasinine is 70474-33-8.
What is the molecular formula of Petasinine?
The molecular formula of Petasinine is C13H21NO3.
What is the molecular weight of Petasinine?
The molecular weight of Petasinine is 239.15 g/mol.
Where can I buy Petasinine?
You can request a quote for Petasinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Petasinine?
Yes, KEHONG BIO provides custom synthesis services for Petasinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.