santonin
TL;DR: santonin (CAS 50780-69-3) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 50780-69-3 |
|---|---|
| SMILES | CC1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C |
| InChIKey | XJHDMGJURBVLLE-UABIXTSPSA-N |
Product Overview
santonin (CAS 50780-69-3), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: (3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione.
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
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 246.13 g/mol.
Where can I buy santonin?
You can request a quote for santonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for santonin?
Yes, KEHONG BIO provides custom synthesis services for santonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.