苦毒宁
TL;DR: 苦毒宁 (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.
苦毒宁
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
苦毒宁 (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 苦毒宁
Property Insights of 苦毒宁
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苦毒宁. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 苦毒宁. Following Lipinski's Rule of Five, 苦毒宁 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 苦毒宁?
The CAS number of 苦毒宁 is 17617-45-7.
What is the molecular formula of 苦毒宁?
The molecular formula of 苦毒宁 is C15H16O6.
What is the molecular weight of 苦毒宁?
The molecular weight of 苦毒宁 is 292.09 g/mol.
Where can I buy 苦毒宁?
You can request a quote for 苦毒宁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苦毒宁?
Yes, KEHONG BIO provides custom synthesis services for 苦毒宁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.