1-(2-Cyano-4-nitrophenyl)piperidine-4-carboxylic acid
TL;DR: 1-(2-Cyano-4-nitrophenyl)piperidine-4-carboxylic acid (CAS 903863-91-2) is a chemical compound with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyano-4-nitrophenyl)piperidine-4-carboxylic acid
Also Known As: 1-(2-cyano-4-nitrophenyl)piperidine-4-carboxylic acid, 1-(2-cyano-4-nitrophenyl)-4-piperidinecarboxylic acid, 1-(2-cyano-4-nitro-phenyl)piperidine-4-carboxylic Acid, 4-piperidinecarboxylic acid, 1-(2-cyano-4-nitrophenyl)-, 1-(2-cyano-4-nitrophenyl)piperidine-4-carboxylicacid
| Molecular Formula | C13H13N3O4 |
|---|---|
| Molecular Weight | 275.09 g/mol |
| LogP | 1.76748 |
| Topological Polar Surface Area | 107.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.0906 |
| Heavy Atoms | 20 |
| Complexity | 585.76935 |
Chemical Identifiers
| CAS Number | 903863-91-2 |
|---|---|
| SMILES | C1CN(CCC1C(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])C#N |
Product Overview
1-(2-Cyano-4-nitrophenyl)piperidine-4-carboxylic acid (CAS 903863-91-2), with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol. IUPAC: 1-(2-cyano-4-nitrophenyl)piperidine-4-carboxylic acid.
Chemical Property Profile of 1-(2-Cyano-4-nitrophenyl)piperidine-4-carboxylic acid
Property Insights of 1-(2-Cyano-4-nitrophenyl)piperidine-4-carboxylic acid
The XLogP value of 1.76748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Cyano-4-nitrophenyl)piperidine-4-carboxylic acid. The TPSA of 107.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Cyano-4-nitrophenyl)piperidine-4-carboxylic acid. Following Lipinski's Rule of Five, 1-(2-Cyano-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-(2-Cyano-4-nitrophenyl)piperidine-4-carboxylic acid?
The CAS number of 1-(2-Cyano-4-nitrophenyl)piperidine-4-carboxylic acid is 903863-91-2.
What is the molecular formula of 1-(2-Cyano-4-nitrophenyl)piperidine-4-carboxylic acid?
The molecular formula of 1-(2-Cyano-4-nitrophenyl)piperidine-4-carboxylic acid is C13H13N3O4.
What is the molecular weight of 1-(2-Cyano-4-nitrophenyl)piperidine-4-carboxylic acid?
The molecular weight of 1-(2-Cyano-4-nitrophenyl)piperidine-4-carboxylic acid is 275.09 g/mol.
Where can I buy 1-(2-Cyano-4-nitrophenyl)piperidine-4-carboxylic acid?
You can request a quote for 1-(2-Cyano-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-(2-Cyano-4-nitrophenyl)piperidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Cyano-4-nitrophenyl)piperidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.