TL;DR: Coronene, methyl- (CAS 13119-86-3) is a chemical compound with molecular formula C25H14 and molecular weight 314.10956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methylcoronene
Also Known As: 1-Methylcoronene, Methylcoronene, Coronene, methyl-, Coronene, 1-methyl-, Tagatosazine
| Molecular Formula | C25H14 |
| Molecular Weight | 314.10956 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.10956 Da |
| Heavy Atoms | 25 |
| Complexity | 564.0 |
| SMILES | CC1=CC2=C3C4=C(C=CC5=C4C6=C(C=C5)C=CC7=C6C3=C1C=C7)C=C2 |
| InChIKey | NYAQPDBIWGCXLE-UHFFFAOYSA-N |
The XLogP value of 7.9 indicates that Coronene, methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Coronene, methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coronene, methyl- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Coronene, methyl- is 13119-86-3.
The molecular formula of Coronene, methyl- is C25H14.
The molecular weight of Coronene, methyl- is 314.10956 g/mol.
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