Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride
TL;DR: Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride (CAS 60789-94-8) is a chemical compound with molecular formula C23H28ClNO3 and molecular weight 401.17578 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride
Also Known As: 2-Phenyl-nicotinic acid, 1-(2-Benzoylethyl)-4-phenylisonipecotic acid ethyl ester hydrochloride, 2-(N-(4-Carbethoxy-4-phenyl)piperidino)propiophenone hydrochloride, ISONIPECOTIC ACID, 1-(2-BENZOYLETHYL)-4-PHENYL-, ETHYL ESTER, HYDROCHLORIDE, Propiophenone, 3-(N-(4'-carbethoxy-4'-phenyl)piperidino)-, hydrochloride
Technical Specifications
| Molecular Formula | C23H28ClNO3 |
| Molecular Weight | 401.17578 g/mol |
| XLogP | -0.56 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.17578 Da |
| Heavy Atoms | 28 |
| Complexity | 484.0 |
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| InChIKey | HLEVPWCWUZKNTL-UHFFFAOYSA-N |
Chemical Property Profile of Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride
Property Insights of Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride
The XLogP value of -0.56 indicates that Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.8 Ų, Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride?
The CAS number of Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride is 60789-94-8.
What is the molecular formula of Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride?
The molecular formula of Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride is C23H28ClNO3.
What is the molecular weight of Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride?
The molecular weight of Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride is 401.17578 g/mol.
Where can I buy Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride?
You can request a quote for Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.