dihydrosantonin
TL;DR: dihydrosantonin (CAS 18409-93-3) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3H-benzo[g][1]benzofuran-2,8-dione
Also Known As: dihydrosantonin, 1,2-Dihydro-alpha-santonin, 1,2-Dihydrosantonin, Dihydro-alpha-santonin, (+)-dihydro-alpha-santonin
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.6436 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 462.35916 |
Chemical Identifiers
| CAS Number | 18409-93-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CC[C@]3(CCC(=O)C(=C3[C@H]2OC1=O)C)C |
Product Overview
dihydrosantonin (CAS 18409-93-3), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3H-benzo[g][1]benzofuran-2,8-dione.
Chemical Property Profile of dihydrosantonin
Property Insights of dihydrosantonin
The XLogP value of 2.6436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dihydrosantonin. With a topological polar surface area (TPSA) of 43.37 Ų, dihydrosantonin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dihydrosantonin 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 dihydrosantonin?
The CAS number of dihydrosantonin is 18409-93-3.
What is the molecular formula of dihydrosantonin?
The molecular formula of dihydrosantonin is C15H20O3.
What is the molecular weight of dihydrosantonin?
The molecular weight of dihydrosantonin is 248.14 g/mol.
Where can I buy dihydrosantonin?
You can request a quote for dihydrosantonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dihydrosantonin?
Yes, KEHONG BIO provides custom synthesis services for dihydrosantonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.