TL;DR: Phosphonic acid, (2-fluorobenzoyl)-, bis(1-methylethyl) ester (CAS 141543-26-2) is a chemical compound with molecular formula C13H18FO4P and molecular weight 288.09268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methanone
Also Known As: DIISOPROPYL 2-FLUOROBENZOYLPHOSPHONATE, Di(propan-2-yl) (2-fluorobenzoyl)phosphonate, Phosphonic acid, (2-fluorobenzoyl)-, bis(1-methylethyl) ester, di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methanone, Dipropan-2-yloxyphosphoryl-(2-fluorophenyl)methanone
| Molecular Formula | C13H18FO4P |
| Molecular Weight | 288.09268 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.09268 Da |
| Heavy Atoms | 19 |
| Complexity | 343.0 |
| SMILES | CC(C)OP(=O)(C(=O)C1=CC=CC=C1F)OC(C)C |
| InChIKey | OJJDEGYWSMAVLJ-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (2-fluorobenzoyl)-, bis(1-methylethyl) ester. With a topological polar surface area (TPSA) of 52.6 Ų, Phosphonic acid, (2-fluorobenzoyl)-, bis(1-methylethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (2-fluorobenzoyl)-, bis(1-methylethyl) ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phosphonic acid, (2-fluorobenzoyl)-, bis(1-methylethyl) ester is 141543-26-2.
The molecular formula of Phosphonic acid, (2-fluorobenzoyl)-, bis(1-methylethyl) ester is C13H18FO4P.
The molecular weight of Phosphonic acid, (2-fluorobenzoyl)-, bis(1-methylethyl) ester is 288.09268 g/mol.
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