picrotoxinin
TL;DR: picrotoxinin (CAS 17617-45-7) is a chemical compound with molecular formula C15H16O6 and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
Also Known As: picrotoxinin, Picrotoxinine, AI3-41571, Picrotoxinin (from Anamirta cocculus seed), SW199118-2
| Molecular Formula | C15H16O6 |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.0947 |
| Heavy Atoms | 21 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 17617-45-7 |
|---|---|
| SMILES | CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C |
| InChIKey | PIMZUZSSNYHVCU-UHFFFAOYSA-N |
Product Overview
picrotoxinin (CAS 17617-45-7), with molecular formula C15H16O6 and molecular weight 292.09 g/mol. IUPAC: 1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione.
Chemical Property Profile of picrotoxinin
Property Insights of picrotoxinin
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for picrotoxinin. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for picrotoxinin. Following Lipinski's Rule of Five, picrotoxinin has 1 hydrogen bond donor(s) and 6 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 picrotoxinin?
The CAS number of picrotoxinin is 17617-45-7.
What is the molecular formula of picrotoxinin?
The molecular formula of picrotoxinin is C15H16O6.
What is the molecular weight of picrotoxinin?
The molecular weight of picrotoxinin is 292.09 g/mol.
Where can I buy picrotoxinin?
You can request a quote for picrotoxinin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for picrotoxinin?
Yes, KEHONG BIO provides custom synthesis services for picrotoxinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.