TL;DR: Phosphonic acid, (4,5-dihydro-3-(2-hydroxyphenyl)-5-isoxazolyl)- (CAS 125674-88-6) is a chemical compound with molecular formula C9H10NO5P and molecular weight 243.02966 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid
Also Known As: 3-(2-Hydroxyphenyl)-2-isoxazolin-5-ylphosphonic acid, Phosphonic acid, (4,5-dihydro-3-(2-hydroxyphenyl)-5-isoxazolyl)-, (4,5-Dihydro-3-(2-hydroxyphenyl)-5-isoxazolyl)phosphonic acid, [(3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-oxazolidin-5-yl]phosphonic acid
| Molecular Formula | C9H10NO5P |
| Molecular Weight | 243.02966 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 99.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.02966 Da |
| Heavy Atoms | 16 |
| Complexity | 339.0 |
| SMILES | C1C(ON=C1C2=CC=CC=C2O)P(=O)(O)O |
| InChIKey | VSMWPMDMCUQNBK-UHFFFAOYSA-N |
The XLogP value of -0.2 indicates that Phosphonic acid, (4,5-dihydro-3-(2-hydroxyphenyl)-5-isoxazolyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, (4,5-dihydro-3-(2-hydroxyphenyl)-5-isoxazolyl)-. Following Lipinski's Rule of Five, Phosphonic acid, (4,5-dihydro-3-(2-hydroxyphenyl)-5-isoxazolyl)- has 3 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-(2-hydroxyphenyl)-5-isoxazolyl)- is 125674-88-6.
The molecular formula of Phosphonic acid, (4,5-dihydro-3-(2-hydroxyphenyl)-5-isoxazolyl)- is C9H10NO5P.
The molecular weight of Phosphonic acid, (4,5-dihydro-3-(2-hydroxyphenyl)-5-isoxazolyl)- is 243.02966 g/mol.
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