TL;DR: Pcb 49 (CAS 41464-40-8) is a chemical compound with molecular formula C12H6Cl4 and molecular weight 289.92236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dichloro-2-(2,4-dichlorophenyl)benzene
Also Known As: 2,2',4,5'-TETRACHLOROBIPHENYL, PCB 49, PCB No. 49, 2,2',4,5'-Tcb, 1,1'-Biphenyl, 2,2',4,5'-tetrachloro-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H6Cl4 |
| Molecular Weight | 289.92236 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.9194 Da |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C2=C(C=CC(=C2)Cl)Cl |
| InChIKey | ZWPVHELAQPIZHO-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that Pcb 49 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Pcb 49 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pcb 49 has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pcb 49 is 41464-40-8.
The molecular formula of Pcb 49 is C12H6Cl4.
The molecular weight of Pcb 49 is 289.92236 g/mol.
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