![7-Bromobicyclo[2.2.1]hept-2-yl acetate structure](/static/products/1040/104029-67-6.webp)
7-Bromobicyclo[2.2.1]hept-2-yl acetate
TL;DR: 7-Bromobicyclo[2.2.1]hept-2-yl acetate (CAS 104029-67-6) is a chemical compound with molecular formula C9H13BrO2 and molecular weight 232.00989 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7-bromo-2-bicyclo[2.2.1]heptanyl) acetate
Also Known As: 7-bromobicyclo[2.2.1]hept-2-yl acetate, (7-bromo-3-bicyclo[2.2.1]heptanyl) acetate, 2-exo-Acetoxy-7-anti-brom-bicyclo<2.2.1>heptan, 7-BROMOBICYCLO[2.2.1]HEPTAN-2-YL ACETATE, Bicyclo[2.2.1]heptan-2-ol,7-bromo-, acetate, (exo,anti)- (9CI)
Technical Specifications
| Molecular Formula | C9H13BrO2 |
| Molecular Weight | 232.00989 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.00989 Da |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
| SMILES | CC(=O)OC1CC2CCC1C2Br |
| InChIKey | DPSPXRTZVZNQIK-UHFFFAOYSA-N |
Chemical Property Profile of 7-Bromobicyclo[2.2.1]hept-2-yl acetate
Property Insights of 7-Bromobicyclo[2.2.1]hept-2-yl acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Bromobicyclo[2.2.1]hept-2-yl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 7-Bromobicyclo[2.2.1]hept-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Bromobicyclo[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
What is the CAS number of 7-Bromobicyclo[2.2.1]hept-2-yl acetate?
The CAS number of 7-Bromobicyclo[2.2.1]hept-2-yl acetate is 104029-67-6.
What is the molecular formula of 7-Bromobicyclo[2.2.1]hept-2-yl acetate?
The molecular formula of 7-Bromobicyclo[2.2.1]hept-2-yl acetate is C9H13BrO2.
What is the molecular weight of 7-Bromobicyclo[2.2.1]hept-2-yl acetate?
The molecular weight of 7-Bromobicyclo[2.2.1]hept-2-yl acetate is 232.00989 g/mol.
Where can I buy 7-Bromobicyclo[2.2.1]hept-2-yl acetate?
You can request a quote for 7-Bromobicyclo[2.2.1]hept-2-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Bromobicyclo[2.2.1]hept-2-yl acetate?
Yes, CoreyChem provides custom synthesis services for 7-Bromobicyclo[2.2.1]hept-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.