Kadsurenone
TL;DR: Kadsurenone (CAS 95851-37-9) is a chemical compound with molecular formula C21H24O5 and molecular weight 356.16238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,3aS)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
Also Known As: kadsurenone, Denudatin B, (+)-Kadsurenone, Kadsurenone A, Kadsurenone, (+)-
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H24O5 |
| Molecular Weight | 356.16238 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.16238 Da |
| Heavy Atoms | 26 |
| Complexity | 622.0 |
| SMILES | C[C@@H]1[C@H](OC2=CC(=O)C(=C[C@]12OC)CC=C)C3=CC(=C(C=C3)OC)OC |
| InChIKey | VDYACOATPFOZIO-UBWHGVKJSA-N |
Chemical Property Profile of Kadsurenone
Property Insights of Kadsurenone
The XLogP value of 3.2 indicates that Kadsurenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Kadsurenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Kadsurenone 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 Kadsurenone?
The CAS number of Kadsurenone is 95851-37-9.
What is the molecular formula of Kadsurenone?
The molecular formula of Kadsurenone is C21H24O5.
What is the molecular weight of Kadsurenone?
The molecular weight of Kadsurenone is 356.16238 g/mol.
Where can I buy Kadsurenone?
You can request a quote for Kadsurenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Kadsurenone?
Yes, CoreyChem provides custom synthesis services for Kadsurenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.