TL;DR: 3-Bromo-1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one (CAS 114352-31-7) is a chemical compound with molecular formula C10H14Br2O and molecular weight 307.94113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Also Known As: 3,10-dibromo-2-bornanone, 3,10-dibromo-bornan-2-one, 3-bromo-1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one, F0848-0083, 3-Bromo-1-bromomethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one
| Molecular Formula | C10H14Br2O |
| Molecular Weight | 307.94113 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.94113 Da |
| Heavy Atoms | 13 |
| Complexity | 262.0 |
| SMILES | CC1(C2CCC1(C(=O)C2Br)CBr)C |
| InChIKey | XNGJUGUTYMLWIM-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 3-Bromo-1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Bromo-1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Bromo-1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one is 114352-31-7.
The molecular formula of 3-Bromo-1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one is C10H14Br2O.
The molecular weight of 3-Bromo-1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one is 307.94113 g/mol.
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