1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid
TL;DR: 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid (CAS 855715-10-5) is a chemical compound with molecular formula C17H17NO3S and molecular weight 315.09293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylic acid
Also Known As: 1-(4-methylphenyl)-6-oxo-2-thien-2-ylpiperidine-3-carboxylic acid, 6-Oxo-2-(thiophen-2-yl)-1-(p-tolyl)piperidine-3-carboxylic acid, 1-(4-methylphenyl)-6-oxo-2-(thiophen-2-yl)piperidine-3-carboxylic acid, 1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylic acid, 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid
Technical Specifications
| Molecular Formula | C17H17NO3S |
| Molecular Weight | 315.09293 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 85.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.09293 Da |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
| SMILES | CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)O)C3=CC=CS3 |
| InChIKey | KIQDHOPFZJKODK-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid
Property Insights of 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-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
What is the CAS number of 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid?
The CAS number of 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid is 855715-10-5.
What is the molecular formula of 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid?
The molecular formula of 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid is C17H17NO3S.
What is the molecular weight of 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid?
The molecular weight of 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid is 315.09293 g/mol.
Where can I buy 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid?
You can request a quote for 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-(4-Methylphenyl)-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.