Canadensolide
TL;DR: Canadensolide (CAS 20421-31-2) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,6R,6aR)-6-butyl-3-methylidene-6,6a-dihydro-3aH-furo[3,4-b]furan-2,4-dione
Also Known As: Canadensolide, (-)-Canadensolide, (-)-Norcanadensolide, (3aS,6R,6aR)-6-butyl-3-methylidene-6,6a-dihydro-3aH-furo[3,4-b]furan-2,4-dione, Furo(3,4-b)furan-2,4-dione, 6-butyltetrahydro-3-methylene-, (3aS,6R,6aR)-
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 20421-31-2 |
|---|---|
| SMILES | CCCC[C@@H]1[C@H]2[C@H](C(=C)C(=O)O2)C(=O)O1 |
| InChIKey | IYSGHKQBSLXKPO-VGMNWLOBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Canadensolide (CAS 20421-31-2), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: (3aS,6R,6aR)-6-butyl-3-methylidene-6,6a-dihydro-3aH-furo[3,4-b]furan-2,4-dione.
Chemical Property Profile of Canadensolide
Property Insights of Canadensolide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Canadensolide. With a topological polar surface area (TPSA) of 52.6 Ų, Canadensolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Canadensolide has 0 hydrogen bond donor(s) and 4 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 Canadensolide?
The CAS number of Canadensolide is 20421-31-2.
What is the molecular formula of Canadensolide?
The molecular formula of Canadensolide is C11H14O4.
What is the molecular weight of Canadensolide?
The molecular weight of Canadensolide is 210.09 g/mol.
Where can I buy Canadensolide?
You can request a quote for Canadensolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Canadensolide?
Yes, KEHONG BIO provides custom synthesis services for Canadensolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.