TL;DR: 1,1'-Biphenyl, 4,4'-dibromo-2,2'-bis(bromomethyl)- (CAS 142068-86-8) is a chemical compound with molecular formula C14H10Br4 and molecular weight 493.7516 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-1-[4-bromo-2-(bromomethyl)phenyl]-2-(bromomethyl)benzene
Also Known As: 1,1'-Biphenyl, 4,4'-dibromo-2,2'-bis(bromomethyl)-, 4,4'-dibromo-2,2'-bis(bromomethyl)-1,1'-biphenyl, 4,4'-Dibrom-2,2'-bis-brommethyl-biphenyl, 2,2'-Bis(bromomethyl)-4,4'-dibromobiphenyl, 4,4'-dibromo-2,2'-bis(bromomethyl)biphenyl
| Molecular Formula | C14H10Br4 |
| Molecular Weight | 493.7516 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 493.7516 Da |
| Heavy Atoms | 18 |
| Complexity | 232.0 |
| SMILES | C1=CC(=C(C=C1Br)CBr)C2=C(C=C(C=C2)Br)CBr |
| InChIKey | NZRBIKOOKFGDML-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that 1,1'-Biphenyl, 4,4'-dibromo-2,2'-bis(bromomethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1'-Biphenyl, 4,4'-dibromo-2,2'-bis(bromomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Biphenyl, 4,4'-dibromo-2,2'-bis(bromomethyl)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,1'-Biphenyl, 4,4'-dibromo-2,2'-bis(bromomethyl)- is 142068-86-8.
The molecular formula of 1,1'-Biphenyl, 4,4'-dibromo-2,2'-bis(bromomethyl)- is C14H10Br4.
The molecular weight of 1,1'-Biphenyl, 4,4'-dibromo-2,2'-bis(bromomethyl)- is 493.7516 g/mol.
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