1-Butyl-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid
TL;DR: 1-Butyl-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid (CAS 478041-16-6) is a chemical compound with molecular formula C14H19NO3S and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylic acid
Also Known As: Bionet2_001247, 1-butyl-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid, 1-butyl-6-oxo-2-(thiophen-2-yl)piperidine-3-carboxylic acid, 1-butyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylic acid, 3R-0844
| Molecular Formula | C14H19NO3S |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 2.9125 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.10855 |
| Heavy Atoms | 19 |
| Complexity | 443.55338 |
Chemical Identifiers
| CAS Number | 478041-16-6 |
|---|---|
| SMILES | CCCCN1C(C(CCC1=O)C(=O)O)C2=CC=CS2 |
Product Overview
1-Butyl-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid (CAS 478041-16-6), with molecular formula C14H19NO3S and molecular weight 281.11 g/mol. IUPAC: 1-butyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylic acid.
Chemical Property Profile of 1-Butyl-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid
Property Insights of 1-Butyl-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid
The XLogP value of 2.9125 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 1-Butyl-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid has 1 hydrogen bond donor(s) and 3 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-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid?
The CAS number of 1-Butyl-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid is 478041-16-6.
What is the molecular formula of 1-Butyl-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid?
The molecular formula of 1-Butyl-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid is C14H19NO3S.
What is the molecular weight of 1-Butyl-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid?
The molecular weight of 1-Butyl-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid is 281.11 g/mol.
Where can I buy 1-Butyl-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid?
You can request a quote for 1-Butyl-6-oxo-2-(2-thienyl)-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-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-6-oxo-2-(2-thienyl)-3-piperidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.