Ethyl 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate
TL;DR: Ethyl 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate (CAS 866018-75-9) is a chemical compound with molecular formula C16H20N2O5 and molecular weight 320.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3-acetyl-4-nitrophenyl)piperidine-4-carboxylate
Also Known As: ethyl 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate, ethyl 1-(3-acetyl-4-nitrophenyl)piperidine-4-carboxylate, ethyl1-(3-acetyl-4-nitrophenyl)piperidine-4-carboxylate, ethyl 1-(3-acetyl-4-nitro-phenyl)piperidine-4-carboxylate
| Molecular Formula | C16H20N2O5 |
|---|---|
| Molecular Weight | 320.14 g/mol |
| LogP | 2.5769 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.1372 |
| Heavy Atoms | 23 |
| Complexity | 620.89667 |
Chemical Identifiers
| CAS Number | 866018-75-9 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)C |
Product Overview
Ethyl 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate (CAS 866018-75-9), with molecular formula C16H20N2O5 and molecular weight 320.14 g/mol. IUPAC: ethyl 1-(3-acetyl-4-nitrophenyl)piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate
Property Insights of Ethyl 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate
The XLogP value of 2.5769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate has 0 hydrogen bond donor(s) and 6 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-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate?
The CAS number of Ethyl 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate is 866018-75-9.
What is the molecular formula of Ethyl 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate?
The molecular formula of Ethyl 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate is C16H20N2O5.
What is the molecular weight of Ethyl 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate?
The molecular weight of Ethyl 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate is 320.14 g/mol.
Where can I buy Ethyl 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate?
You can request a quote for Ethyl 1-(3-acetyl-4-nitrophenyl)-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-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.