Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate
TL;DR: Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate (CAS 5457-61-4) is a chemical compound with molecular formula C22H25NO3 and molecular weight 351.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-phenacyl-4-phenylpiperidine-4-carboxylate
Also Known As: Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate, ethyl 1-phenacyl-4-phenylpiperidine-4-carboxylate, ethyl 1-phenacyl-4-phenyl-piperidine-4-carboxylate, ISONIPECOTIC ACID, 1-PHENACYL-4-PHENYL-, ETHYL ESTER, 4-PIPERIDINECARBOXYLIC ACID, 1-(2-OXO-2-PHENYLETHYL)-4-PHENYL-, ETHYL ESTER
| Molecular Formula | C22H25NO3 |
|---|---|
| Molecular Weight | 351.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.18344 |
| Heavy Atoms | 26 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 5457-61-4 |
|---|---|
| SMILES | CCOC(=O)C1(CCN(CC1)CC(=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | XFKPHSMWBQJLCT-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate (CAS 5457-61-4), with molecular formula C22H25NO3 and molecular weight 351.18 g/mol. IUPAC: ethyl 1-phenacyl-4-phenylpiperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate
Property Insights of Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate
The XLogP value of 3.9 indicates that Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate?
The CAS number of Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate is 5457-61-4.
What is the molecular formula of Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate?
The molecular formula of Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate is C22H25NO3.
What is the molecular weight of Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate?
The molecular weight of Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate is 351.18 g/mol.
Where can I buy Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate?
You can request a quote for Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(2-oxo-2-phenylethyl)-4-phenyl-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.