TL;DR: 1-[2-(1H-Indol-3-yl)-ethyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde (CAS 119636-71-4) is a chemical compound with molecular formula C17H18N2O and molecular weight 266.1419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(1H-indol-3-yl)ethyl]-2,5-dimethylpyrrole-3-carbaldehyde
Also Known As: 1-[2-(1H-Indol-3-yl)-ethyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde, 0748AD, 1-[2-(1H-indol-3-yl)ethyl]-2,5-dimethylpyrrole-3-carbaldehyde, BAS 12764225, 1-(2-(1H-Indol-3-yl)ethyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
| Molecular Formula | C17H18N2O |
| Molecular Weight | 266.1419 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 37.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.1419 Da |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
| SMILES | CC1=CC(=C(N1CCC2=CNC3=CC=CC=C32)C)C=O |
| InChIKey | AVHBVLXBUKWXGC-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(1H-Indol-3-yl)-ethyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde. With a topological polar surface area (TPSA) of 37.8 Ų, 1-[2-(1H-Indol-3-yl)-ethyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(1H-Indol-3-yl)-ethyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[2-(1H-Indol-3-yl)-ethyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde is 119636-71-4.
The molecular formula of 1-[2-(1H-Indol-3-yl)-ethyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde is C17H18N2O.
The molecular weight of 1-[2-(1H-Indol-3-yl)-ethyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde is 266.1419 g/mol.
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