Santamarin
TL;DR: Santamarin (CAS 6895-45-0) 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.
(3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
Also Known As: Santamarine, Santamarin, Balchanin, (+)-santamarine, Santamarin;Balchanin
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 6895-45-0 |
|---|---|
| SMILES | CC1=CC[C@H]([C@]2([C@H]1[C@@H]3[C@@H](CC2)C(=C)C(=O)O3)C)O |
| InChIKey | PLSSEPIRACGCBO-PFFFPCNUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Santamarin (CAS 6895-45-0), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one.
Chemical Property Profile of Santamarin
Property Insights of Santamarin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Santamarin. With a topological polar surface area (TPSA) of 46.5 Ų, Santamarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Santamarin has 1 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 Santamarin?
The CAS number of Santamarin is 6895-45-0.
What is the molecular formula of Santamarin?
The molecular formula of Santamarin is C15H20O3.
What is the molecular weight of Santamarin?
The molecular weight of Santamarin is 248.14 g/mol.
Where can I buy Santamarin?
You can request a quote for Santamarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Santamarin?
Yes, KEHONG BIO provides custom synthesis services for Santamarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.