TL;DR: 5-methoxy-1-methyl-1H-indole-3-carbaldehyde (CAS 1354485-42-9) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methoxy-1-methylindole-3-carbaldehyde
Also Known As: 5-methoxy-1-methyl-1H-indole-3-carbaldehyde, 5-methoxy-1-methylindole-3-carbaldehyde, 5-Methoxy-1-Methylindole-3-Carboxaldehyde, 3-Formyl-5-methoxy-1-methylindole, ZERO/005118
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.07898 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.07898 Da |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
| SMILES | CN1C=C(C2=C1C=CC(=C2)OC)C=O |
| InChIKey | OFNAEHQJIMREFJ-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methoxy-1-methyl-1H-indole-3-carbaldehyde. With a topological polar surface area (TPSA) of 31.2 Ų, 5-methoxy-1-methyl-1H-indole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methoxy-1-methyl-1H-indole-3-carbaldehyde 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 5-methoxy-1-methyl-1H-indole-3-carbaldehyde is 1354485-42-9.
The molecular formula of 5-methoxy-1-methyl-1H-indole-3-carbaldehyde is C11H11NO2.
The molecular weight of 5-methoxy-1-methyl-1H-indole-3-carbaldehyde is 189.07898 g/mol.
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