TL;DR: Phosphinic acid, (4,5-dihydro-3-(1-naphthalenyl)-5-isoxazolyl)methyl- (CAS 125674-51-3) is a chemical compound with molecular formula C14H14NO3P and molecular weight 275.07114 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid
Also Known As: (4,5-Dihydro-3-(1-naphthalenyl)-5-isoxazolyl)methylphosphinic acid, Phosphinic acid, (4,5-dihydro-3-(1-naphthalenyl)-5-isoxazolyl)methyl-, methyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid, Methyl[3-(naphthalen-1-yl)-4,5-dihydro-1,2-oxazol-5-yl]phosphinic acid, Phosphinic acid,[4,5-dihydro-3-(1-naphthalenyl)-5-isoxazolyl]methyl-(9CI)
| Molecular Formula | C14H14NO3P |
| Molecular Weight | 275.07114 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.07114 Da |
| Heavy Atoms | 19 |
| Complexity | 423.0 |
| SMILES | CP(=O)(C1CC(=NO1)C2=CC=CC3=CC=CC=C32)O |
| InChIKey | VCZDPRGJLIEUPL-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphinic acid, (4,5-dihydro-3-(1-naphthalenyl)-5-isoxazolyl)methyl-. With a topological polar surface area (TPSA) of 58.9 Ų, Phosphinic acid, (4,5-dihydro-3-(1-naphthalenyl)-5-isoxazolyl)methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphinic acid, (4,5-dihydro-3-(1-naphthalenyl)-5-isoxazolyl)methyl- has 1 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 Phosphinic acid, (4,5-dihydro-3-(1-naphthalenyl)-5-isoxazolyl)methyl- is 125674-51-3.
The molecular formula of Phosphinic acid, (4,5-dihydro-3-(1-naphthalenyl)-5-isoxazolyl)methyl- is C14H14NO3P.
The molecular weight of Phosphinic acid, (4,5-dihydro-3-(1-naphthalenyl)-5-isoxazolyl)methyl- is 275.07114 g/mol.
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