TL;DR: Quinoxaline-5-carbaldehyde (CAS 141234-08-4) is a chemical compound with molecular formula C9H6N2O and molecular weight 158.04802 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
quinoxaline-5-carbaldehyde
Also Known As: Quinoxaline-5-carbaldehyde, 5-quinoxalinecarboxaldehyde, Quinoxaline-5-carboxaldehyde, 5-Formylquinoxaline, 5-Quinoxalinecarbaldehyde
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H6N2O |
| Molecular Weight | 158.04802 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 42.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.04802 Da |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
| SMILES | C1=CC(=C2C(=C1)N=CC=N2)C=O |
| InChIKey | XNGYMORBKJLAQE-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinoxaline-5-carbaldehyde. With a topological polar surface area (TPSA) of 42.9 Ų, Quinoxaline-5-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinoxaline-5-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 Quinoxaline-5-carbaldehyde is 141234-08-4.
The molecular formula of Quinoxaline-5-carbaldehyde is C9H6N2O.
The molecular weight of Quinoxaline-5-carbaldehyde is 158.04802 g/mol.
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