2-(1,3-Benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid
TL;DR: 2-(1,3-Benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid (CAS 478041-17-7) is a chemical compound with molecular formula C17H21NO5 and molecular weight 319.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-4-yl)-1-butyl-6-oxopiperidine-3-carboxylic acid
Also Known As: 2-(1,3-benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid, 2-(2H-1,3-benzodioxol-4-yl)-1-butyl-6-oxopiperidine-3-carboxylic acid, 3R-0846, 2-(1,3-benzodioxol-4-yl)-1-butyl-6-oxopiperidine-3-carboxylic acid, 2-(1,3-benzodioxol-4-yl)-1-butyl-6-oxo-piperidine-3-carboxylic acid
| Molecular Formula | C17H21NO5 |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 2.5797 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.14197 |
| Heavy Atoms | 23 |
| Complexity | 615.00134 |
Chemical Identifiers
| CAS Number | 478041-17-7 |
|---|---|
| SMILES | CCCCN1C(C(CCC1=O)C(=O)O)C2=C3C(=CC=C2)OCO3 |
Product Overview
2-(1,3-Benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid (CAS 478041-17-7), with molecular formula C17H21NO5 and molecular weight 319.14 g/mol. IUPAC: 2-(1,3-benzodioxol-4-yl)-1-butyl-6-oxopiperidine-3-carboxylic acid.
Chemical Property Profile of 2-(1,3-Benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid
Property Insights of 2-(1,3-Benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid
The XLogP value of 2.5797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-4-yl)-1-butyl-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 2-(1,3-Benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid?
The CAS number of 2-(1,3-Benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid is 478041-17-7.
What is the molecular formula of 2-(1,3-Benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid?
The molecular formula of 2-(1,3-Benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid is C17H21NO5.
What is the molecular weight of 2-(1,3-Benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid?
The molecular weight of 2-(1,3-Benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid is 319.14 g/mol.
Where can I buy 2-(1,3-Benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid?
You can request a quote for 2-(1,3-Benzodioxol-4-yl)-1-butyl-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 2-(1,3-Benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-4-yl)-1-butyl-6-oxo-3-piperidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.