(S)-Canadine
TL;DR: (S)-Canadine (CAS 5096-57-1) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
Also Known As: Canadine, (S)-Canadine, Canadine l-form, Xanthopuccine, Tetrahydroberberine
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H21NO4 |
| Molecular Weight | 339.14706 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.14706 Da |
| Heavy Atoms | 25 |
| Complexity | 488.0 |
| SMILES | COC1=C(C2=C(C[C@H]3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC |
| InChIKey | VZTUIEROBZXUFA-INIZCTEOSA-N |
Chemical Property Profile of (S)-Canadine
Property Insights of (S)-Canadine
The XLogP value of 3.1 indicates that (S)-Canadine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.2 Ų, (S)-Canadine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-Canadine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (S)-Canadine?
The CAS number of (S)-Canadine is 5096-57-1.
What is the molecular formula of (S)-Canadine?
The molecular formula of (S)-Canadine is C20H21NO4.
What is the molecular weight of (S)-Canadine?
The molecular weight of (S)-Canadine is 339.14706 g/mol.
Where can I buy (S)-Canadine?
You can request a quote for (S)-Canadine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-Canadine?
Yes, CoreyChem provides custom synthesis services for (S)-Canadine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.