1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid
TL;DR: 1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid (CAS 164933-90-8) 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.
1-butyl-2-(4-nitrophenyl)-6-oxopiperidine-3-carboxylic acid
Also Known As: 1-butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid, 1-butyl-2-(4-nitrophenyl)-6-oxopiperidine-3-carboxylic acid, 1-butyl-2-(4-nitrophenyl)-6-oxopiperidine-3-carboxylicacid, 1-butyl-2-(4-nitrophenyl)-6-oxo-piperidine-3-carboxylic Acid
| Molecular Formula | C16H20N2O5 |
|---|---|
| Molecular Weight | 320.14 g/mol |
| LogP | 2.7592 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.1372 |
| Heavy Atoms | 23 |
| Complexity | 598.9931 |
Chemical Identifiers
| CAS Number | 164933-90-8 |
|---|---|
| SMILES | CCCCN1C(C(CCC1=O)C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid (CAS 164933-90-8), with molecular formula C16H20N2O5 and molecular weight 320.14 g/mol. IUPAC: 1-butyl-2-(4-nitrophenyl)-6-oxopiperidine-3-carboxylic acid.
Chemical Property Profile of 1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid
Property Insights of 1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid
The XLogP value of 2.7592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid. Following Lipinski's Rule of Five, 1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid 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
Frequently Asked Questions
What is the CAS number of 1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid?
The CAS number of 1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid is 164933-90-8.
What is the molecular formula of 1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid?
The molecular formula of 1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid is C16H20N2O5.
What is the molecular weight of 1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid?
The molecular weight of 1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid is 320.14 g/mol.
Where can I buy 1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid?
You can request a quote for 1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-2-(4-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.