alpha-Picrotoxinone
TL;DR: alpha-Picrotoxinone (CAS 5947-63-7) is a chemical compound with molecular formula C14H14O7 and molecular weight 294.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,8S,9S,12R,13R)-14-acetyl-1-hydroxy-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
Also Known As: alpha-Picrotoxinone, .alpha.-Picrotoxinone, 4-19-00-05246 (Beilstein Handbook Reference), (2aR,3R,6S,6aS,8bR)-9-Acetyl-2a-hydroxy-8b-methylhexahydro-8H-3,6-methano-1,5,7-trioxacyclopenta[ij]cyclopropa[a]azulene-4,8(3H)-dione, 9-Acetyl-2a-hydroxy-8b-methylhexahydro-8H-3,6-methano-1,5,7-trioxacyclopenta[ij]cyclopropa[a]azulene-4,8(3H)-dione
| Molecular Formula | C14H14O7 |
|---|---|
| Molecular Weight | 294.07 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.07394 |
| Heavy Atoms | 21 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 5947-63-7 |
|---|---|
| SMILES | CC(=O)C1[C@H]2[C@@H]3[C@@]4([C@]([C@@H]1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C |
| InChIKey | ZRGJWHULBHRBFW-ZWOMCJPNSA-N |
Product Overview
alpha-Picrotoxinone (CAS 5947-63-7), with molecular formula C14H14O7 and molecular weight 294.07 g/mol. IUPAC: (1R,8S,9S,12R,13R)-14-acetyl-1-hydroxy-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione.
Chemical Property Profile of alpha-Picrotoxinone
Property Insights of alpha-Picrotoxinone
The XLogP value of -1.3 indicates that alpha-Picrotoxinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Picrotoxinone. Following Lipinski's Rule of Five, alpha-Picrotoxinone has 1 hydrogen bond donor(s) and 7 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 alpha-Picrotoxinone?
The CAS number of alpha-Picrotoxinone is 5947-63-7.
What is the molecular formula of alpha-Picrotoxinone?
The molecular formula of alpha-Picrotoxinone is C14H14O7.
What is the molecular weight of alpha-Picrotoxinone?
The molecular weight of alpha-Picrotoxinone is 294.07 g/mol.
Where can I buy alpha-Picrotoxinone?
You can request a quote for alpha-Picrotoxinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Picrotoxinone?
Yes, KEHONG BIO provides custom synthesis services for alpha-Picrotoxinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.