TL;DR: Cobaltocene (CAS 1277-43-6) is a chemical compound with molecular formula C10H10Co and molecular weight 189.01144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cobalt(2+);bis(cyclopenta-1,3-diene)
Also Known As: Cobaltocene, Bis(cyclopentadienyl)cobalt, Kobaltocen, Dicyclopentadienylcobalt, Kobaltocen [Czech]
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H10Co |
| Molecular Weight | 189.01144 g/mol |
| XLogP | 2.81 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.01144 Da |
| Heavy Atoms | 11 |
| Complexity | 11.0 |
| Melting Point | 343 to 345 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70.7 °F (NTP, 1992) |
| SMILES | [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Co+2] |
| InChIKey | ILZSSCVGGYJLOG-UHFFFAOYSA-N |
The XLogP value of 2.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cobaltocene. With a topological polar surface area (TPSA) of 0.0 Ų, Cobaltocene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cobaltocene 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 Cobaltocene is 1277-43-6.
The molecular formula of Cobaltocene is C10H10Co.
The molecular weight of Cobaltocene is 189.01144 g/mol.
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