![[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate structure](/static/products/1385/13851-11-1.webp)
[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
TL;DR: [(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate (CAS 13851-11-1) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
Also Known As: Fenchyl acetate, Fenchylacetate, FEMA No. 3390, 1,3,3-Trimethyl-2-norbornanyl acetate, 2-Norbornanol, 1,3,3-trimethyl-, acetate
Technical Specifications
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.14633 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 | 196.14633 Da |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
| SMILES | CC(=O)OC1[C@]2(CC[C@H](C2)C1(C)C)C |
| InChIKey | JUWUWIGZUVEFQB-MAZPRZIYSA-N |
Chemical Property Profile of [(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
Property Insights of [(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
The XLogP value of 3.1 indicates that [(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] 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, [(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] 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 [(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate?
The CAS number of [(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate is 13851-11-1.
What is the molecular formula of [(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate?
The molecular formula of [(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate is C12H20O2.
What is the molecular weight of [(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate?
The molecular weight of [(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate is 196.14633 g/mol.
Where can I buy [(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate?
You can request a quote for [(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate?
Yes, CoreyChem provides custom synthesis services for [(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.