TL;DR: 2,2'-(2,2',3,3',5,5',6,6'-Octachlorobiphenyl-4,4'-ylenediimino)diethanol (CAS 15811-54-8) is a chemical compound with molecular formula C16H12Cl8N2O2 and molecular weight 543.8407 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2,3,5,6-tetrachloro-4-[2,3,5,6-tetrachloro-4-(2-hydroxyethylamino)phenyl]anilino]ethanol
Also Known As: 2,2'-(2,2',3,3',5,5',6,6'-Octachlorobiphenyl-4,4'-ylenediimino)diethanol, 2,2'-[(2,2',3,3',5,5',6,6'-octachlorobiphenyl-4,4'-diyl)diimino]diethanol, 2-[2,3,5,6-tetrachloro-4-[2,3,5,6-tetrachloro-4-(2-hydroxyethylamino)phenyl]anilino]ethanol, 2,2 -[(2,2 ,3,3 ,5,5 ,6,6 -Octachloro-1,1 -biphenyl-4,4 -diyl)diimino]diethanol, 2,2'-[(2,2',3,3',5,5',6,6'-Octachloro[1,1'-biphenyl]-4,4'-diyl)bis(azanediyl)]di(ethan-1-ol)
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H12Cl8N2O2 |
| Molecular Weight | 543.8407 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 64.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 547.8348 Da |
| Heavy Atoms | 28 |
| Complexity | 422.0 |
| SMILES | C(CO)NC1=C(C(=C(C(=C1Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)NCCO)Cl)Cl)Cl)Cl |
| InChIKey | IQQMBEJKKYHXKS-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that 2,2'-(2,2',3,3',5,5',6,6'-Octachlorobiphenyl-4,4'-ylenediimino)diethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-(2,2',3,3',5,5',6,6'-Octachlorobiphenyl-4,4'-ylenediimino)diethanol. Following Lipinski's Rule of Five, 2,2'-(2,2',3,3',5,5',6,6'-Octachlorobiphenyl-4,4'-ylenediimino)diethanol has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2'-(2,2',3,3',5,5',6,6'-Octachlorobiphenyl-4,4'-ylenediimino)diethanol is 15811-54-8.
The molecular formula of 2,2'-(2,2',3,3',5,5',6,6'-Octachlorobiphenyl-4,4'-ylenediimino)diethanol is C16H12Cl8N2O2.
The molecular weight of 2,2'-(2,2',3,3',5,5',6,6'-Octachlorobiphenyl-4,4'-ylenediimino)diethanol is 543.8407 g/mol.
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