TL;DR: (1S)-(+)-B-Bromodiisopinocampheylborane (CAS 112246-74-9) is a chemical compound with molecular formula C20H34BBr and molecular weight 364.1937 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bromo-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)borane
Also Known As: (+)-DIP bromide, (+)-DIP-Bromide(TM), (1S)-(+)-B-Bromodiisopinocampheylborane, Bromo-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)borane, Bromo-bis(2,7,7-trimethyl-3-bicyclo[3.1.1]heptyl)borane
| Molecular Formula | C20H34BBr |
| Molecular Weight | 364.1937 g/mol |
| XLogP | 6.5174 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.1937 Da |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
| SMILES | B(C1CC2CC(C1C)C2(C)C)(C3CC4CC(C3C)C4(C)C)Br |
| InChIKey | FKBAVEASVZAXFW-UHFFFAOYSA-N |
The XLogP value of 6.5174 indicates that (1S)-(+)-B-Bromodiisopinocampheylborane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (1S)-(+)-B-Bromodiisopinocampheylborane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S)-(+)-B-Bromodiisopinocampheylborane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (1S)-(+)-B-Bromodiisopinocampheylborane is 112246-74-9.
The molecular formula of (1S)-(+)-B-Bromodiisopinocampheylborane is C20H34BBr.
The molecular weight of (1S)-(+)-B-Bromodiisopinocampheylborane is 364.1937 g/mol.
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