TL;DR: Pcb 95 (CAS 38379-99-6) 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-3-(2,5-dichlorophenyl)benzene
Also Known As: Pcb 95, 2,2',3,5',6-PENTACHLOROBIPHENYL, PCB No. 95, 3-Ethyl-4-methylpyridine, PCB95
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H5Cl5 |
| Molecular Weight | 323.8834 g/mol |
| XLogP | 6.5 |
| 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)C2=C(C=CC(=C2Cl)Cl)Cl)Cl |
| InChIKey | GXNNLIMMEXHBKV-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that Pcb 95 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 95 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pcb 95 has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pcb 95 is 38379-99-6.
The molecular formula of Pcb 95 is C12H5Cl5.
The molecular weight of Pcb 95 is 323.8834 g/mol.
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