Acetyl-alpha-desmotroposantonin
TL;DR: Acetyl-alpha-desmotroposantonin (CAS 54192-31-3) is a chemical compound with molecular formula C17H20O4 and molecular weight 288.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aS,9bR)-3,6,9-trimethyl-2-oxo-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-8-yl] acetate
Also Known As: Acetyl-alpha-desmotroposantonin, DESMOTROPOSANTONINE, ACETATE, AN-374/12457007, (3S,3aS,9bR)-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,9b-hexahydronaphtho[1,2-b]furan-8-yl acetate, [(3S,3aS,9bR)-3,6,9-trimethyl-2-oxo-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-8-yl] acetate
| Molecular Formula | C17H20O4 |
|---|---|
| Molecular Weight | 288.14 g/mol |
| LogP | 3.02514 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.13617 |
| Heavy Atoms | 21 |
| Complexity | 632.16754 |
Chemical Identifiers
| CAS Number | 54192-31-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CCC3=C([C@@H]2OC1=O)C(=C(C=C3C)OC(=O)C)C |
Product Overview
Acetyl-alpha-desmotroposantonin (CAS 54192-31-3), with molecular formula C17H20O4 and molecular weight 288.14 g/mol. IUPAC: [(3S,3aS,9bR)-3,6,9-trimethyl-2-oxo-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-8-yl] acetate.
Chemical Property Profile of Acetyl-alpha-desmotroposantonin
Property Insights of Acetyl-alpha-desmotroposantonin
The XLogP value of 3.02514 indicates that Acetyl-alpha-desmotroposantonin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Acetyl-alpha-desmotroposantonin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetyl-alpha-desmotroposantonin has 0 hydrogen bond donor(s) and 4 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 Acetyl-alpha-desmotroposantonin?
The CAS number of Acetyl-alpha-desmotroposantonin is 54192-31-3.
What is the molecular formula of Acetyl-alpha-desmotroposantonin?
The molecular formula of Acetyl-alpha-desmotroposantonin is C17H20O4.
What is the molecular weight of Acetyl-alpha-desmotroposantonin?
The molecular weight of Acetyl-alpha-desmotroposantonin is 288.14 g/mol.
Where can I buy Acetyl-alpha-desmotroposantonin?
You can request a quote for Acetyl-alpha-desmotroposantonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl-alpha-desmotroposantonin?
Yes, KEHONG BIO provides custom synthesis services for Acetyl-alpha-desmotroposantonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.