Solanine
TL;DR: Solanine (CAS 20562-02-1) is a chemical compound with molecular formula C45H73NO15 and molecular weight 867.49805 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: alpha-Solanine, Solatunine, alpha-Solanin, SOLANINE, .alpha.-Solanine
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C45H73NO15 |
| Molecular Weight | 867.49805 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 241.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 867.49805 Da |
| Heavy Atoms | 61 |
| Complexity | 1590.0 |
| Solubility | DECOMP ABOUT 212 °C; USUALLY AMORPHOUS & GUMMY BUT HAS BEEN CRYSTALLIZED; SOL IN WATER /SOLANINE HYDROCHLORIDE/ |
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C |
| InChIKey | ZGVSETXHNHBTRK-OTYSSXIJSA-N |
Chemical Property Profile of Solanine
Property Insights of Solanine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Solanine. The TPSA of 241.0 Ų indicates high polarity, suggesting Solanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Solanine has 9 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Solanine?
The CAS number of Solanine is 20562-02-1.
What is the molecular formula of Solanine?
The molecular formula of Solanine is C45H73NO15.
What is the molecular weight of Solanine?
The molecular weight of Solanine is 867.49805 g/mol.
Where can I buy Solanine?
You can request a quote for Solanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Solanine?
Yes, CoreyChem provides custom synthesis services for Solanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.