(6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl propionate
TL;DR: (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl propionate (CAS 1212307-25-9) is a chemical compound with molecular formula C17H26O2 and molecular weight 262.19327 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] propanoate
Also Known As: (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl propionate, [(6R,8aS)-3,5,5-trimethyl-8-methylidene-1,2,4,6,7,8a-hexahydroazulen-6-yl] propanoate
Technical Specifications
| Molecular Formula | C17H26O2 |
| Molecular Weight | 262.19327 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.19327 Da |
| Heavy Atoms | 19 |
| Complexity | 429.0 |
| SMILES | CCC(=O)O[C@@H]1CC(=C)[C@@H]2CCC(=C2CC1(C)C)C |
| InChIKey | ZTVLMYQGDKIJBJ-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 propionate
Property Insights of (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl propionate
The XLogP value of 3.5 indicates that (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl propionate 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 propionate 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 propionate 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 propionate?
The CAS number of (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl propionate is 1212307-25-9.
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 propionate?
The molecular formula of (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl propionate is C17H26O2.
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 propionate?
The molecular weight of (6R,8aS)-3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl propionate is 262.19327 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 propionate?
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 propionate 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 propionate?
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 propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.