TL;DR: 6H-1,3-Oxazine-5-carboxaldehyde, 2-(dimethylamino)-6-oxo-4-phenyl- (CAS 100230-70-4) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(dimethylamino)-6-oxo-4-phenyl-1,3-oxazine-5-carbaldehyde
Also Known As: 6H-1,3-Oxazine-5-carboxaldehyde, 2-(dimethylamino)-6-oxo-4-phenyl-, 2-(dimethylamino)-6-oxo-4-phenyl-1,3-oxazine-5-carbaldehyde, BAS 05881375, 2-(dimethylamino)-6-oxo-4-phenyl-6H-1,3-oxazine-5-carbaldehyde, 2-Dimethylamino-6-oxo-4-phenyl-6H-[1,3]oxazine-5-carbaldehyde
| Molecular Formula | C13H12N2O3 |
| Molecular Weight | 244.0848 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0848 Da |
| Heavy Atoms | 18 |
| Complexity | 418.0 |
| SMILES | CN(C)C1=NC(=C(C(=O)O1)C=O)C2=CC=CC=C2 |
| InChIKey | VMQLINFGKDEJRS-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-1,3-Oxazine-5-carboxaldehyde, 2-(dimethylamino)-6-oxo-4-phenyl-. With a topological polar surface area (TPSA) of 59.0 Ų, 6H-1,3-Oxazine-5-carboxaldehyde, 2-(dimethylamino)-6-oxo-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-1,3-Oxazine-5-carboxaldehyde, 2-(dimethylamino)-6-oxo-4-phenyl- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6H-1,3-Oxazine-5-carboxaldehyde, 2-(dimethylamino)-6-oxo-4-phenyl- is 100230-70-4.
The molecular formula of 6H-1,3-Oxazine-5-carboxaldehyde, 2-(dimethylamino)-6-oxo-4-phenyl- is C13H12N2O3.
The molecular weight of 6H-1,3-Oxazine-5-carboxaldehyde, 2-(dimethylamino)-6-oxo-4-phenyl- is 244.0848 g/mol.
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