Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate
TL;DR: Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate (CAS 28602-98-4) is a chemical compound with molecular formula C17H34INO2 and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-ethyl-2-methylhexanoate iodide
Also Known As: 1-(2-Hydroxyethyl)-1-methylpiperidinium iodide 2-ethyl-2-methylhexanoate, Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate, 1-{2-[(2-ethyl-2-methylhexanoyl)oxy]ethyl}-1-methylpiperidinium iodide, 1-{2-[(2-Ethyl-2-methylhexanoyl)oxy]ethyl}-1-methylpiperidin-1-ium iodide, 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-ethyl-2-methylhexanoate iodide
| Molecular Formula | C17H34INO2 |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 0.7706 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.16342 |
| Heavy Atoms | 21 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 28602-98-4 |
|---|---|
| SMILES | CCCCC(C)(CC)C(=O)OCC[N+]1(CCCCC1)C.[I-] |
| InChIKey | MWVNGHBLTGJAMD-UHFFFAOYSA-M |
Product Overview
Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate (CAS 28602-98-4), with molecular formula C17H34INO2 and molecular weight 411.16 g/mol. IUPAC: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-ethyl-2-methylhexanoate iodide.
Chemical Property Profile of Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate
Property Insights of Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate
The XLogP value of 0.7706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate has 0 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 Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate?
The CAS number of Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate is 28602-98-4.
What is the molecular formula of Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate?
The molecular formula of Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate is C17H34INO2.
What is the molecular weight of Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate?
The molecular weight of Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate is 411.16 g/mol.
Where can I buy Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate?
You can request a quote for Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.