Dan shen spiroketal lactone
TL;DR: Dan shen spiroketal lactone (CAS 100414-80-0) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.10995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4'R)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one
Also Known As: Dan shen spiroketal lactone, DS-Skl, Danshinspiroketallactone, Dan-shen spiroketallactone, (4'R)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one
Technical Specifications
| Molecular Formula | C17H16O3 |
| Molecular Weight | 268.10995 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.10995 Da |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
| SMILES | C[C@@H]1CC2(C3=C(C4=CC=CC(=C4C=C3)C)C(=O)O2)OC1 |
| InChIKey | DNLNYCCHXAULQA-YQDUUYOCSA-N |
Chemical Property Profile of Dan shen spiroketal lactone
Property Insights of Dan shen spiroketal lactone
The XLogP value of 3.7 indicates that Dan shen spiroketal lactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Dan shen spiroketal lactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dan shen spiroketal lactone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dan shen spiroketal lactone?
The CAS number of Dan shen spiroketal lactone is 100414-80-0.
What is the molecular formula of Dan shen spiroketal lactone?
The molecular formula of Dan shen spiroketal lactone is C17H16O3.
What is the molecular weight of Dan shen spiroketal lactone?
The molecular weight of Dan shen spiroketal lactone is 268.10995 g/mol.
Where can I buy Dan shen spiroketal lactone?
You can request a quote for Dan shen spiroketal lactone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dan shen spiroketal lactone?
Yes, CoreyChem provides custom synthesis services for Dan shen spiroketal lactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.