1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl butanoate
TL;DR: 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl butanoate (CAS 13109-70-1) 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.
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) butanoate
Also Known As: Bornyl butyrate, Bornyl butanoate, bornylbutyrat, Borneol, butyrate, Isobornyl butyrate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
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 |
| Boiling Point | 120.00 to 121.00 °C. @ 10.00 mm Hg |
| Solubility | slightly |
| SMILES | CCCC(=O)OC1CC2CCC1(C2(C)C)C |
| InChIKey | VIPNQHBVIDJXJE-UHFFFAOYSA-N |
Chemical Property Profile of 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl butanoate
Property Insights of 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl butanoate
The XLogP value of 4.1 indicates that 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, 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, 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 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl butanoate?
The CAS number of 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl butanoate is 13109-70-1.
What is the molecular formula of 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl butanoate?
The molecular formula of 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl butanoate is C14H24O2.
What is the molecular weight of 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl butanoate?
The molecular weight of 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl butanoate is 224.17763 g/mol.
Where can I buy 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl butanoate?
You can request a quote for 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 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl butanoate?
Yes, CoreyChem provides custom synthesis services for 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.