![(1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate structure](/static/products/1524/152490-57-8.webp)
(1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate
TL;DR: (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate (CAS 152490-57-8) is a chemical compound with molecular formula C14H24O2 and molecular weight 224.17763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] butanoate
Also Known As: Bornyl butyrate, endo-Bornyl butyrate, Butyric acid, 2-bornyl ester, KST-1A1618, EINECS 236-036-0
Technical Specifications
| Molecular Formula | C14H24O2 |
| Molecular Weight | 224.17763 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.17763 Da |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
| SMILES | CCCC(=O)O[C@H]1C[C@H]2CC[C@]1(C2(C)C)C |
| InChIKey | VIPNQHBVIDJXJE-UHIISALHSA-N |
Chemical Property Profile of (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate
Property Insights of (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate
The XLogP value of 4.1 indicates that (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate 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 (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate?
The CAS number of (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate is 152490-57-8.
What is the molecular formula of (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate?
The molecular formula of (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate is C14H24O2.
What is the molecular weight of (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate?
The molecular weight of (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate is 224.17763 g/mol.
Where can I buy (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate?
You can request a quote for (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate?
Yes, CoreyChem provides custom synthesis services for (1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-YL butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.