TL;DR: Quinoxaline-6-carboxaldehyde (CAS 165736-20-9) 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-6-carbaldehyde
Also Known As: Quinoxaline-6-carbaldehyde, quinoxaline-6-carboxaldehyde, 6-quinoxalinecarboxaldehyde, 6-Formylquinoxaline, 6-quinoxalinecarbaldehyde
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H6N2O |
| Molecular Weight | 158.04802 g/mol |
| XLogP | 0.9 |
| 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=CC2=NC=CN=C2C=C1C=O |
| InChIKey | UGOIXUFOAODGNI-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinoxaline-6-carboxaldehyde. With a topological polar surface area (TPSA) of 42.9 Ų, Quinoxaline-6-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinoxaline-6-carboxaldehyde 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-6-carboxaldehyde is 165736-20-9.
The molecular formula of Quinoxaline-6-carboxaldehyde is C9H6N2O.
The molecular weight of Quinoxaline-6-carboxaldehyde is 158.04802 g/mol.
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