TL;DR: Dichlorozirconium(2+);1-methylcyclopenta-1,3-diene;5-methylcyclopenta-1,3-diene (CAS 12109-71-6) is a chemical compound with molecular formula C12H14Cl2Zr and molecular weight 317.95197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dichlorozirconium(2+);1-methylcyclopenta-1,3-diene;5-methylcyclopenta-1,3-diene
Also Known As: Zirconium, dichlorobis((1,2,3,4,5-eta)-1-methyl-2,4-cyclopentadien-1-yl)-
| Molecular Formula | C12H14Cl2Zr |
| Molecular Weight | 317.95197 g/mol |
| XLogP | 4.62398 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 317.95197 Da |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
| SMILES | CC1C=C[C-]=C1.CC1=C[C-]=CC1.Cl[Zr+2]Cl |
| InChIKey | WIAQYBCFEZCTNQ-UHFFFAOYSA-L |
The XLogP value of 4.62398 indicates that Dichlorozirconium(2+);1-methylcyclopenta-1,3-diene;5-methylcyclopenta-1,3-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Dichlorozirconium(2+);1-methylcyclopenta-1,3-diene;5-methylcyclopenta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dichlorozirconium(2+);1-methylcyclopenta-1,3-diene;5-methylcyclopenta-1,3-diene 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 Dichlorozirconium(2+);1-methylcyclopenta-1,3-diene;5-methylcyclopenta-1,3-diene is 12109-71-6.
The molecular formula of Dichlorozirconium(2+);1-methylcyclopenta-1,3-diene;5-methylcyclopenta-1,3-diene is C12H14Cl2Zr.
The molecular weight of Dichlorozirconium(2+);1-methylcyclopenta-1,3-diene;5-methylcyclopenta-1,3-diene is 317.95197 g/mol.
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