TL;DR: Benz(j)aceanthrylene, 1,2-dihydro-9-methoxy-6-methyl- (CAS 111238-19-8) is a chemical compound with molecular formula C22H18O and molecular weight 298.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-methoxy-6-methyl-1,2-dihydrobenzo[j]aceanthrylene
Also Known As: Benz(j)aceanthrylene, 1,2-dihydro-9-methoxy-6-methyl-, 9-methoxy-6-methyl-1,2-dihydrobenzo[j]aceanthrylene, 9-Methoxy-6-methyl-1,2-dihydrocyclopenta[ij]tetraphene
| Molecular Formula | C22H18O |
| Molecular Weight | 298.13577 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.13577 Da |
| Heavy Atoms | 23 |
| Complexity | 445.0 |
| SMILES | CC1=C2C(=C3CCC4=C3C1=CC=C4)C=CC5=C2C=CC(=C5)OC |
| InChIKey | GJVSTMFBUMSURJ-UHFFFAOYSA-N |
The XLogP value of 6.3 indicates that Benz(j)aceanthrylene, 1,2-dihydro-9-methoxy-6-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benz(j)aceanthrylene, 1,2-dihydro-9-methoxy-6-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(j)aceanthrylene, 1,2-dihydro-9-methoxy-6-methyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benz(j)aceanthrylene, 1,2-dihydro-9-methoxy-6-methyl- is 111238-19-8.
The molecular formula of Benz(j)aceanthrylene, 1,2-dihydro-9-methoxy-6-methyl- is C22H18O.
The molecular weight of Benz(j)aceanthrylene, 1,2-dihydro-9-methoxy-6-methyl- is 298.13577 g/mol.
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