TL;DR: 1-(4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}phenyl)ethanone (CAS 304454-95-3) is a chemical compound with molecular formula C20H17NO2 and molecular weight 303.12592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[(2-methoxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
Also Known As: 1-(4-{[(2-methoxy-1-naphthyl)methylene]amino}phenyl)ethanone, 1-[4-[(2-methoxynaphthalen-1-yl)methylideneamino]phenyl]ethanone, 4-[(1E)-2-(2-methoxynaphthyl)-1-azavinyl]-1-acetylbenzene, 1-(4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}phenyl)ethanone
| Molecular Formula | C20H17NO2 |
| Molecular Weight | 303.12592 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.12592 Da |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)N=CC2=C(C=CC3=CC=CC=C32)OC |
| InChIKey | PQGAZDLRBKNMIG-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 1-(4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}phenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 1-(4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}phenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}phenyl)ethanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}phenyl)ethanone is 304454-95-3.
The molecular formula of 1-(4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}phenyl)ethanone is C20H17NO2.
The molecular weight of 1-(4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}phenyl)ethanone is 303.12592 g/mol.
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