TL;DR: 4-acetyl-4H-furo[3,2-b]pyrrole-2-carbaldehyde (CAS 117613-27-1) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-acetylfuro[3,2-b]pyrrole-2-carbaldehyde
Also Known As: 4h-furo[3,2-b]pyrrole-2-carbaldehyde, 4-acetyl-4H-furo[3,2-b]pyrrole-2-carbaldehyde, 4-acetylfuro[3,2-b]pyrrole-2-carbaldehyde, 4H-furo[3,2-b]pyrrole-2-carboxaldehyde, 4-acetyl-
| Molecular Formula | C9H7NO3 |
| Molecular Weight | 177.04259 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 52.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.04259 Da |
| Heavy Atoms | 13 |
| Complexity | 241.0 |
| SMILES | CC(=O)N1C=CC2=C1C=C(O2)C=O |
| InChIKey | PAHATCWLFWNKAS-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-acetyl-4H-furo[3,2-b]pyrrole-2-carbaldehyde. With a topological polar surface area (TPSA) of 52.2 Ų, 4-acetyl-4H-furo[3,2-b]pyrrole-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-acetyl-4H-furo[3,2-b]pyrrole-2-carbaldehyde 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 4-acetyl-4H-furo[3,2-b]pyrrole-2-carbaldehyde is 117613-27-1.
The molecular formula of 4-acetyl-4H-furo[3,2-b]pyrrole-2-carbaldehyde is C9H7NO3.
The molecular weight of 4-acetyl-4H-furo[3,2-b]pyrrole-2-carbaldehyde is 177.04259 g/mol.
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