TL;DR: 2-Phenyl-2-(1-pyrrolidinyl)-acetophenone hydrochloride (CAS 27590-61-0) is a chemical compound with molecular formula C18H20ClNO and molecular weight 301.12335 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-diphenyl-2-pyrrolidin-1-ium-1-ylethanone chloride
Also Known As: alpha-D2Pv hydrochloride, 2-Phenyl-2-(1-pyrrolidinyl)-acetophenone hydrochloride, 1,2-diphenyl-2-pyrrolidin-1-ium-1-ylethanone;chloride, (alpha-N-Pyrrolidino-benzyl)phenyl-cetone chlorhydrate, (alpha-N-Pyrrolidino-benzyl)phenyl-cetone chlorhydrate [French]
| Molecular Formula | C18H20ClNO |
| Molecular Weight | 301.12335 g/mol |
| XLogP | -0.71 |
| Topological Polar Surface Area (TPSA) | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.12335 Da |
| Heavy Atoms | 21 |
| Complexity | 309.0 |
| SMILES | C1CC[NH+](C1)C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | DZBGHEJUNJIOIJ-UHFFFAOYSA-N |
The XLogP value of -0.71 indicates that 2-Phenyl-2-(1-pyrrolidinyl)-acetophenone hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.5 Ų, 2-Phenyl-2-(1-pyrrolidinyl)-acetophenone hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-2-(1-pyrrolidinyl)-acetophenone hydrochloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Phenyl-2-(1-pyrrolidinyl)-acetophenone hydrochloride is 27590-61-0.
The molecular formula of 2-Phenyl-2-(1-pyrrolidinyl)-acetophenone hydrochloride is C18H20ClNO.
The molecular weight of 2-Phenyl-2-(1-pyrrolidinyl)-acetophenone hydrochloride is 301.12335 g/mol.
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