TL;DR: phosphonic acid, (4,5-dihydro-3-(4-pyridinyl)-5-isoxazolyl)-, diammonium salt (CAS 125674-59-1) is a chemical compound with molecular formula C8H15N4O4P and molecular weight 262.0831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diazanium;dioxido-oxo-(3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl)-λ5-phosphane
Also Known As: (3-(4-Pyridinyl)-2-isoxazolin-5-yl)phosphonic acid diammonium salt, Diammonium (4,5-dihydro-3-(4-pyridinyl)-5-isoxazolyl)phosphonate, Phosphonic acid, (4,5-dihydro-3-(4-pyridinyl)-5-isoxazolyl)-, diammonium salt, Phosphonic acid,[4,5-dihydro-3-(4-pyridinyl)-5-isoxazolyl]-, diammonium salt (9CI), diazanium dioxido-oxo-(3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl)-
| Molecular Formula | C8H15N4O4P |
| Molecular Weight | 262.0831 g/mol |
| XLogP | 0.1982 |
| Topological Polar Surface Area (TPSA) | 99.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.0831 Da |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
| SMILES | C1C(ON=C1C2=CC=NC=C2)P(=O)([O-])[O-].[NH4+].[NH4+] |
| InChIKey | VEUAVVZAOBCXLI-UHFFFAOYSA-N |
The XLogP value of 0.1982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phosphonic acid, (4,5-dihydro-3-(4-pyridinyl)-5-isoxazolyl)-, diammonium salt. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for phosphonic acid, (4,5-dihydro-3-(4-pyridinyl)-5-isoxazolyl)-, diammonium salt. Following Lipinski's Rule of Five, phosphonic acid, (4,5-dihydro-3-(4-pyridinyl)-5-isoxazolyl)-, diammonium salt has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of phosphonic acid, (4,5-dihydro-3-(4-pyridinyl)-5-isoxazolyl)-, diammonium salt is 125674-59-1.
The molecular formula of phosphonic acid, (4,5-dihydro-3-(4-pyridinyl)-5-isoxazolyl)-, diammonium salt is C8H15N4O4P.
The molecular weight of phosphonic acid, (4,5-dihydro-3-(4-pyridinyl)-5-isoxazolyl)-, diammonium salt is 262.0831 g/mol.
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