TL;DR: 2,2',3,3',4',5-Hexachloro-4-biphenylol (CAS 158076-62-1) is a chemical compound with molecular formula C12H4Cl6O and molecular weight 373.83932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,6-trichloro-4-(2,3,4-trichlorophenyl)phenol
Also Known As: 2,2',3,3',4',5-Hexachloro-4-biphenylol, 4-OH-CB130, 4-Hydroxy-2,2',3,3',4',5-hexachlorobiphenyl, 2,3,6-trichloro-4-(2,3,4-trichlorophenyl)phenol, (1,1'-Biphenyl)-4-ol, 2,2',3,3',4',5-hexachloro-
| Molecular Formula | C12H4Cl6O |
| Molecular Weight | 373.83932 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 373.83932 Da |
| Heavy Atoms | 19 |
| Complexity | 317.0 |
| SMILES | C1=CC(=C(C(=C1C2=CC(=C(C(=C2Cl)Cl)O)Cl)Cl)Cl)Cl |
| InChIKey | GBRSRHQBVBUJCF-UHFFFAOYSA-N |
The XLogP value of 7.0 indicates that 2,2',3,3',4',5-Hexachloro-4-biphenylol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2,2',3,3',4',5-Hexachloro-4-biphenylol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',3,3',4',5-Hexachloro-4-biphenylol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2',3,3',4',5-Hexachloro-4-biphenylol is 158076-62-1.
The molecular formula of 2,2',3,3',4',5-Hexachloro-4-biphenylol is C12H4Cl6O.
The molecular weight of 2,2',3,3',4',5-Hexachloro-4-biphenylol is 373.83932 g/mol.
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