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picrotoxinin structure
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picrotoxinin

TL;DR: picrotoxinin (CAS 17617-45-7) is a chemical compound with molecular formula C15H16O6 and molecular weight 292.0947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

CAS Number
17617-45-7
Molecular Formula
C15H16O6
Molecular Weight
292.0947 g/mol
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Technical Specifications

Molecular FormulaC15H16O6
Molecular Weight292.0947 g/mol
XLogP0.5
Topological Polar Surface Area (TPSA)85.4 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors6
Rotatable Bonds1
Exact Mass292.0947 Da
Heavy Atoms21
Complexity642.0
SMILESCC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C
InChIKeyPIMZUZSSNYHVCU-UHFFFAOYSA-N

Product Description

Applications: picrotoxinin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

picrotoxinin is a fine chemical identified by CAS number 17617-45-7 and the molecular formula C15H16O6 and a molecular weight of 292.09 g/mol. Synonyms include picrotoxinin and Picrotoxinine.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of picrotoxinin

XLogP
0.5
TPSA (Topological Polar Surface Area)
85.4
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
Rotatable Bonds
1
Heavy Atoms
21
Complexity
642.0
Exact Mass
292.0947
Monoisotopic Mass
292.0947
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

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

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 292.0947 g/mol.

What are the applications of picrotoxinin?

picrotoxinin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

Where can I buy picrotoxinin?

You can request a quote for picrotoxinin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for picrotoxinin?

Yes, CoreyChem provides custom synthesis services for picrotoxinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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