![Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate structure](/static/products/714/71424-71-0.png)
Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
TL;DR: Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate (CAS 71424-71-0) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
Also Known As: Isobornyl acetate, Pichtosin, Pichtosine, isobornylacetate, Isobomyl acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 2.7643 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 269.4953 |
Chemical Identifiers
| CAS Number | 71424-71-0 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C |
Product Overview
Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate (CAS 71424-71-0), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate.
Chemical Property Profile of Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
Property Insights of Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
The XLogP value of 2.7643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 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
Frequently Asked Questions
What is the CAS number of Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate?
The CAS number of Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate is 71424-71-0.
What is the molecular formula of Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate?
The molecular formula of Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate is C12H20O2.
What is the molecular weight of Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate?
The molecular weight of Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate is 196.15 g/mol.
Where can I buy Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate?
You can request a quote for Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.