TL;DR: 2-methoxy-1-(9H-pyrido(3,4-b)indol-1-yl)ethanone (CAS 123520-94-5) is a chemical compound with molecular formula C14H12N2O2 and molecular weight 240.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxy-1-(9H-pyrido[3,4-b]indol-1-yl)ethanone
Also Known As: Arenarine A, 2-Methoxy-1-(9H-pyrido(3,4-b)indol-1-yl)ethanone, 1-(Methoxyacetyl)-beta-carboline, 2-methoxy-1-(9H-pyrido[3,4-b]indol-1-yl)ethanone, 1-(Methoxyacetyl)-9H-pyrido[3,4-b]indole
| Molecular Formula | C14H12N2O2 |
| Molecular Weight | 240.08987 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.08987 Da |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
| SMILES | COCC(=O)C1=NC=CC2=C1NC3=CC=CC=C23 |
| InChIKey | KGXNMZDNPKYEHN-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methoxy-1-(9H-pyrido(3,4-b)indol-1-yl)ethanone. With a topological polar surface area (TPSA) of 55.0 Ų, 2-methoxy-1-(9H-pyrido(3,4-b)indol-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methoxy-1-(9H-pyrido(3,4-b)indol-1-yl)ethanone has 1 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 2-methoxy-1-(9H-pyrido(3,4-b)indol-1-yl)ethanone is 123520-94-5.
The molecular formula of 2-methoxy-1-(9H-pyrido(3,4-b)indol-1-yl)ethanone is C14H12N2O2.
The molecular weight of 2-methoxy-1-(9H-pyrido(3,4-b)indol-1-yl)ethanone is 240.08987 g/mol.
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