Isobornyl acetate
TL;DR: Isobornyl acetate (CAS 14694-31-6) 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,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
Also Known As: Isobornyl acetate, Pichtosin, Pichtosine, bornyl-acetate, Isobomyl acetate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.14633 g/mol |
| XLogP | 3.3 |
| 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)O[C@H]1C[C@H]2CC[C@]1(C2(C)C)C |
| InChIKey | KGEKLUUHTZCSIP-JFGNBEQYSA-N |
Chemical Property Profile of Isobornyl acetate
Property Insights of Isobornyl acetate
The XLogP value of 3.3 indicates that Isobornyl 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, Isobornyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobornyl 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 Isobornyl acetate?
The CAS number of Isobornyl acetate is 14694-31-6.
What is the molecular formula of Isobornyl acetate?
The molecular formula of Isobornyl acetate is C12H20O2.
What is the molecular weight of Isobornyl acetate?
The molecular weight of Isobornyl acetate is 196.14633 g/mol.
Where can I buy Isobornyl acetate?
You can request a quote for Isobornyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobornyl acetate?
Yes, CoreyChem provides custom synthesis services for Isobornyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.