TL;DR: 1,1'-Biphenyl, 2',3,4,5'-tetrachloro-2-(methylsulfonyl)- (CAS 116610-58-3) is a chemical compound with molecular formula C13H8Cl4O2S and molecular weight 367.8999 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dichloro-4-(2,5-dichlorophenyl)-3-methylsulfonylbenzene
Also Known As: Molybdenum Hex-Cem, 1,1'-Biphenyl,2',3,4,5'-tetrachloro-2-(methylsulfonyl)-, 1,1'-Biphenyl, 2',3,4,5'-tetrachloro-2-(methylsulfonyl)-, 2',3,4,5'-tetrachloro-2-(methylsulfonyl)biphenyl, 1,2-dichloro-4-(2,5-dichlorophenyl)-3-methylsulfonylbenzene
| Molecular Formula | C13H8Cl4O2S |
| Molecular Weight | 367.8999 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.8999 Da |
| Heavy Atoms | 20 |
| Complexity | 436.0 |
| SMILES | CS(=O)(=O)C1=C(C=CC(=C1Cl)Cl)C2=C(C=CC(=C2)Cl)Cl |
| InChIKey | VNEMIQIOOJQSFP-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 1,1'-Biphenyl, 2',3,4,5'-tetrachloro-2-(methylsulfonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 1,1'-Biphenyl, 2',3,4,5'-tetrachloro-2-(methylsulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Biphenyl, 2',3,4,5'-tetrachloro-2-(methylsulfonyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,1'-Biphenyl, 2',3,4,5'-tetrachloro-2-(methylsulfonyl)- is 116610-58-3.
The molecular formula of 1,1'-Biphenyl, 2',3,4,5'-tetrachloro-2-(methylsulfonyl)- is C13H8Cl4O2S.
The molecular weight of 1,1'-Biphenyl, 2',3,4,5'-tetrachloro-2-(methylsulfonyl)- is 367.8999 g/mol.
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