(6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate
TL;DR: (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate (CAS 1212080-18-6) is a chemical compound with molecular formula C16H24O2 and molecular weight 248.17763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(6R,8aS)-3,5,5-trimethyl-8-methylidene-1,2,4,6,7,8a-hexahydroazulen-6-yl] acetate
Also Known As: (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate, [(6R,8aS)-3,5,5-trimethyl-8-methylidene-1,2,4,6,7,8a-hexahydroazulen-6-yl] acetate
Technical Specifications
| Molecular Formula | C16H24O2 |
| Molecular Weight | 248.17763 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.17763 Da |
| Heavy Atoms | 18 |
| Complexity | 415.0 |
| SMILES | CC1=C2CC([C@@H](CC(=C)[C@@H]2CC1)OC(=O)C)(C)C |
| InChIKey | ICFQSSWKBLUBEC-DZGCQCFKSA-N |
Chemical Property Profile of (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate
Property Insights of (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate
The XLogP value of 3.1 indicates that (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate 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 (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate?
The CAS number of (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate is 1212080-18-6.
What is the molecular formula of (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate?
The molecular formula of (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate is C16H24O2.
What is the molecular weight of (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate?
The molecular weight of (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate is 248.17763 g/mol.
Where can I buy (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate?
You can request a quote for (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate?
Yes, CoreyChem provides custom synthesis services for (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.