TL;DR: 1-benzyl-4-phenyl-pyrrolidine-3-carboxylic Acid (CAS 1201574-92-6) is a chemical compound with molecular formula C18H19NO2 and molecular weight 281.14157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
Also Known As: 1-benzyl-4-phenyl-pyrrolidine-3-carboxylic Acid, PARAQUAT, 1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, 3-Pyrrolidinecarboxylicacid, 4-phenyl-1-(phenylmethyl)-, 1-Benzyl-4-phenylpyrrolidine-3-carboxylicacid
| Molecular Formula | C18H19NO2 |
| Molecular Weight | 281.14157 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.14157 Da |
| Heavy Atoms | 21 |
| Complexity | 345.0 |
| SMILES | C1C(C(CN1CC2=CC=CC=C2)C(=O)O)C3=CC=CC=C3 |
| InChIKey | IMROELKPEBZHGE-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-4-phenyl-pyrrolidine-3-carboxylic Acid. With a topological polar surface area (TPSA) of 40.5 Ų, 1-benzyl-4-phenyl-pyrrolidine-3-carboxylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-4-phenyl-pyrrolidine-3-carboxylic Acid 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 1-benzyl-4-phenyl-pyrrolidine-3-carboxylic Acid is 1201574-92-6.
The molecular formula of 1-benzyl-4-phenyl-pyrrolidine-3-carboxylic Acid is C18H19NO2.
The molecular weight of 1-benzyl-4-phenyl-pyrrolidine-3-carboxylic Acid is 281.14157 g/mol.
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