TL;DR: Phosphinic chloride, bis(3-bromotricyclo[3.3.1.13,7]dec-1-yl)- (CAS 131211-28-4) is a chemical compound with molecular formula C20H28Br2ClOP and molecular weight 507.99332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-3-[(3-bromo-1-adamantyl)-chlorophosphoryl]adamantane
Also Known As: Bis(3-bromoadamantan-1-yl)phosphinic chloride, Phosphinic chloride, bis(3-bromotricyclo[3.3.1.13,7]dec-1-yl)-, 1-bromo-3-[(3-bromo-1-adamantyl)-chloro-phosphoryl]adamantane, 1-bromo-3-[(3-bromo-1-adamantyl)-chlorophosphoryl]adamantane
| Molecular Formula | C20H28Br2ClOP |
| Molecular Weight | 507.99332 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 507.99332 Da |
| Heavy Atoms | 25 |
| Complexity | 611.0 |
| SMILES | C1C2CC3(CC1CC(C2)(C3)Br)P(=O)(C45CC6CC(C4)CC(C6)(C5)Br)Cl |
| InChIKey | JIHPPJSLRGZYDH-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that Phosphinic chloride, bis(3-bromotricyclo[3.3.1.13,7]dec-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Phosphinic chloride, bis(3-bromotricyclo[3.3.1.13,7]dec-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphinic chloride, bis(3-bromotricyclo[3.3.1.13,7]dec-1-yl)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Phosphinic chloride, bis(3-bromotricyclo[3.3.1.13,7]dec-1-yl)- is 131211-28-4.
The molecular formula of Phosphinic chloride, bis(3-bromotricyclo[3.3.1.13,7]dec-1-yl)- is C20H28Br2ClOP.
The molecular weight of Phosphinic chloride, bis(3-bromotricyclo[3.3.1.13,7]dec-1-yl)- is 507.99332 g/mol.
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