6,11-alpha(H)-Santonin
TL;DR: 6,11-alpha(H)-Santonin (CAS 1618-78-6) 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.
(3S,3aS,5aS,9bR)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Also Known As: santonin, Santonin C, 6,11-alpha(H)-Santonin, diaryloxamic acid 1, 6,11-
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 | C[C@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@@H]2OC1=O)C)C |
| InChIKey | XJHDMGJURBVLLE-XJFVKYJOSA-N |
Chemical Property Profile of 6,11-alpha(H)-Santonin
Property Insights of 6,11-alpha(H)-Santonin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,11-alpha(H)-Santonin. With a topological polar surface area (TPSA) of 43.4 Ų, 6,11-alpha(H)-Santonin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,11-alpha(H)-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 6,11-alpha(H)-Santonin?
The CAS number of 6,11-alpha(H)-Santonin is 1618-78-6.
What is the molecular formula of 6,11-alpha(H)-Santonin?
The molecular formula of 6,11-alpha(H)-Santonin is C15H18O3.
What is the molecular weight of 6,11-alpha(H)-Santonin?
The molecular weight of 6,11-alpha(H)-Santonin is 246.1256 g/mol.
Where can I buy 6,11-alpha(H)-Santonin?
You can request a quote for 6,11-alpha(H)-Santonin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6,11-alpha(H)-Santonin?
Yes, CoreyChem provides custom synthesis services for 6,11-alpha(H)-Santonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.