TL;DR: 5-(Diethoxyphosphoryl)-5-methyl-1-pyrroline-N-oxide (CAS 157230-67-6) is a chemical compound with molecular formula C9H18NO4P and molecular weight 235.09735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-diethoxyphosphoryl-2-methyl-1-oxido-3,4-dihydropyrrol-1-ium
Also Known As: DEPMPO, DEPDMPO, DIPPMPO, 5-DEPMPO, 5-(Diethylphosphono)-5-methyl-1-pyrroline N-Oxide
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H18NO4P |
| Molecular Weight | 235.09735 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.09735 Da |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
| SMILES | CCOP(=O)(C1(CCC=[N+]1[O-])C)OCC |
| InChIKey | OKCDBZSDRSXFIB-UHFFFAOYSA-N |
The XLogP value of -0.6 indicates that 5-(Diethoxyphosphoryl)-5-methyl-1-pyrroline-N-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Diethoxyphosphoryl)-5-methyl-1-pyrroline-N-oxide. Following Lipinski's Rule of Five, 5-(Diethoxyphosphoryl)-5-methyl-1-pyrroline-N-oxide has 0 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 5-(Diethoxyphosphoryl)-5-methyl-1-pyrroline-N-oxide is 157230-67-6.
The molecular formula of 5-(Diethoxyphosphoryl)-5-methyl-1-pyrroline-N-oxide is C9H18NO4P.
The molecular weight of 5-(Diethoxyphosphoryl)-5-methyl-1-pyrroline-N-oxide is 235.09735 g/mol.
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