![[(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate structure](/static/products/556/55658-18-9.png)
[(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate
TL;DR: [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate (CAS 55658-18-9) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate
Also Known As: 5-Ketobornyl acetate, (+)-5-Oxobornyl acetate, (1R,2S,4R)-1,7,7-trimethyl-5-oxobicyclo[2.2.1]heptan-2-yl acetate, (1R,2S,4R)-1,7,7-Trimethyl-5-oxobicyclo[2.2.1]heptane-2-ol acetate, (1R,1alpha)-5beta-(Acetyloxy)-4beta,7,7-trimethylbicyclo[2.2.1]heptan-2-one
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 1.9433 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 331.75894 |
Chemical Identifiers
| CAS Number | 55658-18-9 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@H]2C(=O)C[C@@]1(C2(C)C)C |
Product Overview
[(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate (CAS 55658-18-9), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate.
Chemical Property Profile of [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate
Property Insights of [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate
The XLogP value of 1.9433 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate. With a topological polar surface area (TPSA) of 43.37 Ų, [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate has 0 hydrogen bond donor(s) and 3 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 [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate?
The CAS number of [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate is 55658-18-9.
What is the molecular formula of [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate?
The molecular formula of [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate is C12H18O3.
What is the molecular weight of [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate?
The molecular weight of [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate is 210.13 g/mol.
Where can I buy [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate?
You can request a quote for [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [(1R,2S,4R)-1,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.