beta-Santonin
TL;DR: beta-Santonin (CAS 481-07-2) 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.
(3R,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Also Known As: beta-Santonin, b-santonin, santonin, .beta.-Santonin, A-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 | 481-07-2 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C |
| InChIKey | XJHDMGJURBVLLE-OMSPQPPYSA-N |
Product Overview
beta-Santonin (CAS 481-07-2), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: (3R,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione.
Chemical Property Profile of beta-Santonin
Property Insights of beta-Santonin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Santonin. With a topological polar surface area (TPSA) of 43.4 Ų, beta-Santonin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-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 beta-Santonin?
The CAS number of beta-Santonin is 481-07-2.
What is the molecular formula of beta-Santonin?
The molecular formula of beta-Santonin is C15H18O3.
What is the molecular weight of beta-Santonin?
The molecular weight of beta-Santonin is 246.13 g/mol.
Where can I buy beta-Santonin?
You can request a quote for beta-Santonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Santonin?
Yes, KEHONG BIO provides custom synthesis services for beta-Santonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.