TL;DR: Ethyl hydrogen 1-propylphosphonate (CAS 21921-96-0) is a chemical compound with molecular formula C5H13O3P and molecular weight 152.06023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethoxy(propyl)phosphinic acid
Also Known As: Monoethyl propylphosphonate, Niagara 10637, Ethyl propylphosphonate, Ethyl hydrogen propylphosphonate, ethoxy(propyl)phosphinic acid
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H13O3P |
| Molecular Weight | 152.06023 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 152.06023 Da |
| Heavy Atoms | 9 |
| Complexity | 113.0 |
| SMILES | CCCP(=O)(O)OCC |
| InChIKey | FJDJZPWIPLUDIZ-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl hydrogen 1-propylphosphonate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl hydrogen 1-propylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl hydrogen 1-propylphosphonate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethyl hydrogen 1-propylphosphonate is 21921-96-0.
The molecular formula of Ethyl hydrogen 1-propylphosphonate is C5H13O3P.
The molecular weight of Ethyl hydrogen 1-propylphosphonate is 152.06023 g/mol.
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