1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid
TL;DR: 1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid (CAS 866039-58-9) is a chemical compound with molecular formula C14H16N2O5 and molecular weight 292.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetyl-4-nitrophenyl)piperidine-4-carboxylic acid
Also Known As: 1-(3-acetyl-4-nitrophenyl)piperidine-4-carboxylic acid, 1-(3-acetyl-4-nitrophenyl)-4-piperidinecarboxylic acid, 1-(3-acetyl-4-nitro-phenyl)piperidine-4-carboxylic Acid, 1-(3-acetyl-4-nitrophenyl)piperidine-4-carboxylicacid
| Molecular Formula | C14H16N2O5 |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | 2.0984 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.10593 |
| Heavy Atoms | 21 |
| Complexity | 591.0272 |
Chemical Identifiers
| CAS Number | 866039-58-9 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1)N2CCC(CC2)C(=O)O)[N+](=O)[O-] |
Product Overview
1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid (CAS 866039-58-9), with molecular formula C14H16N2O5 and molecular weight 292.11 g/mol. IUPAC: 1-(3-acetyl-4-nitrophenyl)piperidine-4-carboxylic acid.
Chemical Property Profile of 1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid
Property Insights of 1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid
The XLogP value of 2.0984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid. Following Lipinski's Rule of Five, 1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid has 1 hydrogen bond donor(s) and 5 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-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid?
The CAS number of 1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid is 866039-58-9.
What is the molecular formula of 1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid?
The molecular formula of 1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid is C14H16N2O5.
What is the molecular weight of 1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid?
The molecular weight of 1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid is 292.11 g/mol.
Where can I buy 1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid?
You can request a quote for 1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Acetyl-4-nitrophenyl)piperidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.