TL;DR: 1-Pyrenecarbonyl fluoride (CAS 138143-24-5) is a chemical compound with molecular formula C17H9FO and molecular weight 248.06374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyrene-1-carbonyl fluoride
Also Known As: Pyrene-1-carbonyl fluoride, 1-Pyrenecarbonyl fluoride, 1-Pyrenecarbonylfluoride, pyrene-1-carbonylfluoride
| Molecular Formula | C17H9FO |
| Molecular Weight | 248.06374 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.06374 Da |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)F |
| InChIKey | PKUXJHNVOXZUEX-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 1-Pyrenecarbonyl fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Pyrenecarbonyl fluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrenecarbonyl fluoride 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-Pyrenecarbonyl fluoride is 138143-24-5.
The molecular formula of 1-Pyrenecarbonyl fluoride is C17H9FO.
The molecular weight of 1-Pyrenecarbonyl fluoride is 248.06374 g/mol.
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