santonin
TL;DR: santonin (CAS 50780-69-3) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Also Known As: santonin, Santoninum, Semenen, alpha-Santonin, L-alpha-Santonin
Technical Specifications
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.1256 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.1256 Da |
| Heavy Atoms | 18 |
| Complexity | 500.0 |
| SMILES | CC1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C |
| InChIKey | XJHDMGJURBVLLE-UABIXTSPSA-N |
Product Description
Applications: santonin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, santonin (CAS 50780-69-3) has the molecular formula C15H18O3 and a molecular weight of 246.13 g/mol. Synonyms include santonin and Santoninum.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of santonin
Property Insights of santonin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for santonin. With a topological polar surface area (TPSA) of 43.4 Ų, santonin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, santonin 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 santonin?
The CAS number of santonin is 50780-69-3.
What is the molecular formula of santonin?
The molecular formula of santonin is C15H18O3.
What is the molecular weight of santonin?
The molecular weight of santonin is 246.1256 g/mol.
What are the applications of santonin?
santonin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy santonin?
You can request a quote for santonin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for santonin?
Yes, CoreyChem provides custom synthesis services for santonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.