Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester
TL;DR: Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester (CAS 102395-61-9) is a chemical compound with molecular formula C17H23NO3 and molecular weight 289.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-(2-oxopropyl)-4-phenylpiperidine-4-carboxylate
Also Known As: 1-Acetonyl-4-phenylisonipecotic acid ethyl ester, 1-(2-Oxopropyl)-4-carbethoxy-4-phenylpiperidine, ISONIPECOTIC ACID, 1-ACETONYL-4-PHENYL-, ETHYL ESTER, ethyl 1-(2-oxopropyl)-4-phenylpiperidine-4-carboxylate, 1-Acetonyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C17H23NO3 |
| Molecular Weight | 289.1678 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.1678 Da |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
| SMILES | CCOC(=O)C1(CCN(CC1)CC(=O)C)C2=CC=CC=C2 |
| InChIKey | MSRCHHJMIZQCQD-UHFFFAOYSA-N |
Chemical Property Profile of Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester
Property Insights of Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester. With a topological polar surface area (TPSA) of 46.6 Ų, Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester has 0 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-acetonyl-4-phenyl-, ethyl ester?
The CAS number of Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester is 102395-61-9.
What is the molecular formula of Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester?
The molecular formula of Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester is C17H23NO3.
What is the molecular weight of Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester?
The molecular weight of Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester is 289.1678 g/mol.
Where can I buy Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester?
You can request a quote for Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.