5-Bromooctahydro-4,7-methano-2-benzofuran
TL;DR: 5-Bromooctahydro-4,7-methano-2-benzofuran (CAS 10453-55-1) is a chemical compound with molecular formula C9H13BrO and molecular weight 216.01498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-bromo-4-oxatricyclo[5.2.1.02,6]decane
Also Known As: 5-bromooctahydro-4,7-methano-2-benzofuran
Technical Specifications
| Molecular Formula | C9H13BrO |
| Molecular Weight | 216.01498 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.01498 Da |
| Heavy Atoms | 11 |
| Complexity | 182.0 |
| SMILES | C1C2CC(C1C3C2COC3)Br |
| InChIKey | MOBCGDJENPQGNG-UHFFFAOYSA-N |
Chemical Property Profile of 5-Bromooctahydro-4,7-methano-2-benzofuran
Property Insights of 5-Bromooctahydro-4,7-methano-2-benzofuran
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromooctahydro-4,7-methano-2-benzofuran. With a topological polar surface area (TPSA) of 9.2 Ų, 5-Bromooctahydro-4,7-methano-2-benzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromooctahydro-4,7-methano-2-benzofuran has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Bromooctahydro-4,7-methano-2-benzofuran?
The CAS number of 5-Bromooctahydro-4,7-methano-2-benzofuran is 10453-55-1.
What is the molecular formula of 5-Bromooctahydro-4,7-methano-2-benzofuran?
The molecular formula of 5-Bromooctahydro-4,7-methano-2-benzofuran is C9H13BrO.
What is the molecular weight of 5-Bromooctahydro-4,7-methano-2-benzofuran?
The molecular weight of 5-Bromooctahydro-4,7-methano-2-benzofuran is 216.01498 g/mol.
Where can I buy 5-Bromooctahydro-4,7-methano-2-benzofuran?
You can request a quote for 5-Bromooctahydro-4,7-methano-2-benzofuran directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Bromooctahydro-4,7-methano-2-benzofuran?
Yes, CoreyChem provides custom synthesis services for 5-Bromooctahydro-4,7-methano-2-benzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.