Acetoxymethylisolongifolene
TL;DR: Acetoxymethylisolongifolene (CAS 59056-62-1) is a chemical compound with molecular formula C18H28O2 and molecular weight 276.20892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl)methyl acetate
Also Known As: Prohexadione, Acetoxymethylisolongifolene, KST-1A6459, (7,7,8,8-tetramethyloctahydro-2,3b-methanocyclopenta[1,3]cyclopropa[1,2]benzen-4-yl)methyl acetate, 2,3b-Methano-3bH-cyclopenta(1,3)cyclopropa(1,2)benzene-4-methanol, octahydro-7,7,8,8-tetramethyl-, acetate
Technical Specifications
| Molecular Formula | C18H28O2 |
| Molecular Weight | 276.20892 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.20892 Da |
| Heavy Atoms | 20 |
| Complexity | 492.0 |
| SMILES | CC(=O)OCC1CCC(C23C14C2CC(C3)C4(C)C)(C)C |
| InChIKey | ANPXCNWSCGYEMA-UHFFFAOYSA-N |
Chemical Property Profile of Acetoxymethylisolongifolene
Property Insights of Acetoxymethylisolongifolene
The XLogP value of 4.6 indicates that Acetoxymethylisolongifolene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetoxymethylisolongifolene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetoxymethylisolongifolene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetoxymethylisolongifolene?
The CAS number of Acetoxymethylisolongifolene is 59056-62-1.
What is the molecular formula of Acetoxymethylisolongifolene?
The molecular formula of Acetoxymethylisolongifolene is C18H28O2.
What is the molecular weight of Acetoxymethylisolongifolene?
The molecular weight of Acetoxymethylisolongifolene is 276.20892 g/mol.
Where can I buy Acetoxymethylisolongifolene?
You can request a quote for Acetoxymethylisolongifolene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetoxymethylisolongifolene?
Yes, CoreyChem provides custom synthesis services for Acetoxymethylisolongifolene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.