TL;DR: 1,1-Bis(4-chlorophenyl)-2-[(4-methylphenyl)sulfonyl]-1-ethanol (CAS 110052-75-0) is a chemical compound with molecular formula C21H18Cl2O3S and molecular weight 420.03537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol
Also Known As: 11H-319S, 1,1-bis(4-chlorophenyl)-2-[(4-methylphenyl)sulfonyl]-1-ethanol, 1,1-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol, 1,1-bis(4-chlorophenyl)-2-(4-methylbenzenesulfonyl)ethan-1-ol, 1,1-bis(4-chlorophenyl)-2-(4-methylbenzenesulfonyl)ethanol
| Molecular Formula | C21H18Cl2O3S |
| Molecular Weight | 420.03537 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.03537 Da |
| Heavy Atoms | 27 |
| Complexity | 543.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O |
| InChIKey | NAIPLWAEVVLCJR-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 1,1-Bis(4-chlorophenyl)-2-[(4-methylphenyl)sulfonyl]-1-ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Bis(4-chlorophenyl)-2-[(4-methylphenyl)sulfonyl]-1-ethanol. Following Lipinski's Rule of Five, 1,1-Bis(4-chlorophenyl)-2-[(4-methylphenyl)sulfonyl]-1-ethanol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,1-Bis(4-chlorophenyl)-2-[(4-methylphenyl)sulfonyl]-1-ethanol is 110052-75-0.
The molecular formula of 1,1-Bis(4-chlorophenyl)-2-[(4-methylphenyl)sulfonyl]-1-ethanol is C21H18Cl2O3S.
The molecular weight of 1,1-Bis(4-chlorophenyl)-2-[(4-methylphenyl)sulfonyl]-1-ethanol is 420.03537 g/mol.
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