TL;DR: Pcb 99 (CAS 38380-01-7) is a chemical compound with molecular formula C12H5Cl5 and molecular weight 323.8834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,4-trichloro-5-(2,4-dichlorophenyl)benzene
Also Known As: 2,2',4,4',5-PENTACHLOROBIPHENYL, PCB 99, PCB No. 99, 2,2',4,4',5-Pentachloro-1,1'-biphenyl, PCB99
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H5Cl5 |
| Molecular Weight | 323.8834 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.88043 Da |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl |
| InChIKey | LMQJBFRGXHMNOX-UHFFFAOYSA-N |
The XLogP value of 7.2 indicates that Pcb 99 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 99 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pcb 99 has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pcb 99 is 38380-01-7.
The molecular formula of Pcb 99 is C12H5Cl5.
The molecular weight of Pcb 99 is 323.8834 g/mol.
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