TL;DR: 2,3',4,4'-Tetrachlorobiphenyl-3-ol (CAS 51109-11-6) is a chemical compound with molecular formula C12H6Cl4O and molecular weight 305.91727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dichloro-3-(3,4-dichlorophenyl)phenol
Also Known As: Borreverine, M-A (sub 2), 5-Hydroxy-2,4,3,4-tcb, 5-Hydroxy-2,4,3',4'-tcb, (1,1'-BIPHENYL)-3-OL, 2,3',4,4'-TETRACHLORO-
| Molecular Formula | C12H6Cl4O |
| Molecular Weight | 305.91727 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.91434 Da |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
| SMILES | C1=CC(=C(C=C1C2=C(C(=C(C=C2)Cl)O)Cl)Cl)Cl |
| InChIKey | BKAFWWPAYSNNLG-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 2,3',4,4'-Tetrachlorobiphenyl-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2,3',4,4'-Tetrachlorobiphenyl-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3',4,4'-Tetrachlorobiphenyl-3-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,3',4,4'-Tetrachlorobiphenyl-3-ol is 51109-11-6.
The molecular formula of 2,3',4,4'-Tetrachlorobiphenyl-3-ol is C12H6Cl4O.
The molecular weight of 2,3',4,4'-Tetrachlorobiphenyl-3-ol is 305.91727 g/mol.
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