TL;DR: Ferrocene, pentyl- (CAS 1274-00-6) is a chemical compound with molecular formula C15H20Fe and molecular weight 256.09143 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclopenta-1,3-diene;iron(2+);1-pentylcyclopenta-1,3-diene
Also Known As: Ferrocene, pentyl-, Pentylferrocene, cyclopenta-1,3-diene;iron(2+);1-pentylcyclopenta-1,3-diene, EINECS 215-058-4
| Molecular Formula | C15H20Fe |
| Molecular Weight | 256.09143 g/mol |
| XLogP | 4.54 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.09143 Da |
| Heavy Atoms | 16 |
| Complexity | 129.0 |
| SMILES | CCCCCC1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2] |
| InChIKey | JHYFIGYFHLCBRI-UHFFFAOYSA-N |
The XLogP value of 4.54 indicates that Ferrocene, pentyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Ferrocene, pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ferrocene, pentyl- 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 Ferrocene, pentyl- is 1274-00-6.
The molecular formula of Ferrocene, pentyl- is C15H20Fe.
The molecular weight of Ferrocene, pentyl- is 256.09143 g/mol.
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