TL;DR: methyl (2S)-2-[[chloro-(4-fluorophenoxy)phosphoryl]amino]propanoate (CAS 147907-39-9) is a chemical compound with molecular formula C10H12ClFNO4P and molecular weight 295.01764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[[chloro-(4-fluorophenoxy)phosphoryl]amino]propanoate
Also Known As: p-fluorophenyl methoxyalaninyl phosphorochloridate, Methyl (2S)-2-[[chloro-(4-fluorophenoxy)phosphoryl]amino]propanoate
| Molecular Formula | C10H12ClFNO4P |
| Molecular Weight | 295.01764 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.01764 Da |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
| SMILES | C[C@@H](C(=O)OC)NP(=O)(OC1=CC=C(C=C1)F)Cl |
| InChIKey | UGDDGQXFCWHDCA-QNUGLTPUSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S)-2-[[chloro-(4-fluorophenoxy)phosphoryl]amino]propanoate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2S)-2-[[chloro-(4-fluorophenoxy)phosphoryl]amino]propanoate. Following Lipinski's Rule of Five, methyl (2S)-2-[[chloro-(4-fluorophenoxy)phosphoryl]amino]propanoate has 1 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 methyl (2S)-2-[[chloro-(4-fluorophenoxy)phosphoryl]amino]propanoate is 147907-39-9.
The molecular formula of methyl (2S)-2-[[chloro-(4-fluorophenoxy)phosphoryl]amino]propanoate is C10H12ClFNO4P.
The molecular weight of methyl (2S)-2-[[chloro-(4-fluorophenoxy)phosphoryl]amino]propanoate is 295.01764 g/mol.
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