TL;DR: 5,6-dimethoxy-1H-indole-3-carbaldehyde (CAS 142769-27-5) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6-dimethoxy-1H-indole-3-carbaldehyde
Also Known As: 5,6-dimethoxy-1H-indole-3-carbaldehyde, 5,6-dimethoxyindole-3-carboxaldehyde, 5,6-Dimethoxyindole-3-carbaldehyde, 1H-Indole-3-carboxaldehyde, 5,6-dimethoxy-, 5,6-Dimethoxy-1H-indole-3-carboxaldehyde
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.0739 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.0739 Da |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
| SMILES | COC1=C(C=C2C(=C1)C(=CN2)C=O)OC |
| InChIKey | KANXUNBQBBJFAC-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-dimethoxy-1H-indole-3-carbaldehyde. With a topological polar surface area (TPSA) of 51.3 Ų, 5,6-dimethoxy-1H-indole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-dimethoxy-1H-indole-3-carbaldehyde 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 5,6-dimethoxy-1H-indole-3-carbaldehyde is 142769-27-5.
The molecular formula of 5,6-dimethoxy-1H-indole-3-carbaldehyde is C11H11NO3.
The molecular weight of 5,6-dimethoxy-1H-indole-3-carbaldehyde is 205.0739 g/mol.
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