TL;DR: Isoxazole, 5-(dimethylphosphinyl)-4,5-dihydro-3-phenyl- (CAS 125674-36-4) is a chemical compound with molecular formula C11H14NO2P and molecular weight 223.07622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole
Also Known As: 3-Phenyl-2-isoxazolin-5-yldimethylphosphine oxide, 5-(Dimethylphosphinyl)-4,5-dihydro-3-phenylisoxazole, Isoxazole, 5-(dimethylphosphinyl)-4,5-dihydro-3-phenyl-, 5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole, 5-(DIMETHYLPHOSPHORYL)-3-PHENYL-4,5-DIHYDRO-1,2-OXAZOLE
| Molecular Formula | C11H14NO2P |
| Molecular Weight | 223.07622 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.07622 Da |
| Heavy Atoms | 15 |
| Complexity | 302.0 |
| SMILES | CP(=O)(C)C1CC(=NO1)C2=CC=CC=C2 |
| InChIKey | WCEFMFNOBWCAEV-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazole, 5-(dimethylphosphinyl)-4,5-dihydro-3-phenyl-. With a topological polar surface area (TPSA) of 38.7 Ų, Isoxazole, 5-(dimethylphosphinyl)-4,5-dihydro-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole, 5-(dimethylphosphinyl)-4,5-dihydro-3-phenyl- 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 Isoxazole, 5-(dimethylphosphinyl)-4,5-dihydro-3-phenyl- is 125674-36-4.
The molecular formula of Isoxazole, 5-(dimethylphosphinyl)-4,5-dihydro-3-phenyl- is C11H14NO2P.
The molecular weight of Isoxazole, 5-(dimethylphosphinyl)-4,5-dihydro-3-phenyl- is 223.07622 g/mol.
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