TL;DR: 4,5,9-Trichloro-4,5-dihydropyrene (CAS 104514-01-4) is a chemical compound with molecular formula C16H9Cl3 and molecular weight 305.977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5,9-trichloro-4,5-dihydropyrene
Also Known As: Permabond 910, 4,5,9-Trichloro-4,5-dihydropyrene, 4,5-Dihydro-4,5,9-trichloropyrene, Pyrene, 4,5-dihydro-4,5,9-trichloro-
| Molecular Formula | C16H9Cl3 |
| Molecular Weight | 305.977 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 305.977 Da |
| Heavy Atoms | 19 |
| Complexity | 358.0 |
| SMILES | C1=CC2=CC(=C3C=CC=C4C3=C2C(=C1)C(C4Cl)Cl)Cl |
| InChIKey | BJSVAQXTFODSLQ-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 4,5,9-Trichloro-4,5-dihydropyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4,5,9-Trichloro-4,5-dihydropyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,9-Trichloro-4,5-dihydropyrene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4,5,9-Trichloro-4,5-dihydropyrene is 104514-01-4.
The molecular formula of 4,5,9-Trichloro-4,5-dihydropyrene is C16H9Cl3.
The molecular weight of 4,5,9-Trichloro-4,5-dihydropyrene is 305.977 g/mol.
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