TL;DR: ghl.PD_Mitscher_leg0.218 (CAS 146727-84-6) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl (2R)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]pyrrolidine-1-carboxylate
Also Known As: ghl.PD_Mitscher_leg0.218, 1-Pyrrolidinecarboxylic acid, 2-(3-ethoxy-3-oxo-1-propenyl)-, phenylmethyl ester, [R-(E)]-, benzyl (2R)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]pyrrolidine-1-carboxylate, Benzyl (2R)-2-[(1E)-3-ethoxy-3-oxoprop-1-en-1-yl]pyrrolidine-1-carboxylate
| Molecular Formula | C17H21NO4 |
| Molecular Weight | 303.14706 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 303.14706 Da |
| Heavy Atoms | 22 |
| Complexity | 401.0 |
| SMILES | CCOC(=O)/C=C/[C@H]1CCCN1C(=O)OCC2=CC=CC=C2 |
| InChIKey | GLBKZCJTDIWDCT-AUECHBEKSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ghl.PD_Mitscher_leg0.218. With a topological polar surface area (TPSA) of 55.8 Ų, ghl.PD_Mitscher_leg0.218 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ghl.PD_Mitscher_leg0.218 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 ghl.PD_Mitscher_leg0.218 is 146727-84-6.
The molecular formula of ghl.PD_Mitscher_leg0.218 is C17H21NO4.
The molecular weight of ghl.PD_Mitscher_leg0.218 is 303.14706 g/mol.
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