TL;DR: 7H-Benzo(b)phenanthren-12-one, 3-methoxy- (CAS 111238-09-6) is a chemical compound with molecular formula C19H14O2 and molecular weight 274.09937 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methoxy-7H-benzo[a]anthracen-12-one
Also Known As: 3-Methoxytetraphen-12(7H)-one, 7H-Benzo(b)phenanthren-12-one, 3-methoxy-, 3-Methoxy-7H-benzo(b)phenanthren-12-one, 3-methoxy-7H-benzo[a]anthracen-12-one
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C19H14O2 |
| Molecular Weight | 274.09937 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.09937 Da |
| Heavy Atoms | 21 |
| Complexity | 404.0 |
| SMILES | COC1=CC2=C(C=C1)C3=C(CC4=CC=CC=C4C3=O)C=C2 |
| InChIKey | JQBNBBRKXVRQDT-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 7H-Benzo(b)phenanthren-12-one, 3-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 7H-Benzo(b)phenanthren-12-one, 3-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-Benzo(b)phenanthren-12-one, 3-methoxy- 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 7H-Benzo(b)phenanthren-12-one, 3-methoxy- is 111238-09-6.
The molecular formula of 7H-Benzo(b)phenanthren-12-one, 3-methoxy- is C19H14O2.
The molecular weight of 7H-Benzo(b)phenanthren-12-one, 3-methoxy- is 274.09937 g/mol.
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