TL;DR: Dimethyl propylphosphonate (CAS 18755-43-6) 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.
1-dimethoxyphosphorylpropane
Also Known As: Dimethyl propylphosphonate, dimethylpropyl phosphonate, 1-dimethoxyphosphorylpropane, Avibactam Impurity 34, Methyl propylphosphonate
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H13O3P |
| Molecular Weight | 152.06023 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 152.06023 Da |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
| SMILES | CCCP(=O)(OC)OC |
| InChIKey | YWDFOLFVOVCBIU-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl propylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Dimethyl propylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl propylphosphonate has 0 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 Dimethyl propylphosphonate is 18755-43-6.
The molecular formula of Dimethyl propylphosphonate is C5H13O3P.
The molecular weight of Dimethyl propylphosphonate is 152.06023 g/mol.
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