1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide
TL;DR: 1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide (CAS 63887-36-5) is a chemical compound with molecular formula C11H22BrNO2 and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-ethylpiperidin-1-ium-1-yl)acetate bromide
Also Known As: Carbethoxymethylethylpiperidinium bromide, Piperidinium, 1-(ethoxycarbonylmethyl)-1-ethyl-, bromide, 1-(2-ethoxy-2-oxoethyl)-1-ethylpiperidinium bromide, ethyl 2-(1-ethylpiperidin-1-ium-1-yl)acetate bromide, ethyl 2-(1-ethylpiperidin-1-ium-1-yl)acetate,bromide
| Molecular Formula | C11H22BrNO2 |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | -1.4259 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.0834 |
| Heavy Atoms | 15 |
| Complexity | 191.02695 |
Chemical Identifiers
| CAS Number | 63887-36-5 |
|---|---|
| SMILES | CC[N+]1(CCCCC1)CC(=O)OCC.[Br-] |
Product Overview
1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide (CAS 63887-36-5), with molecular formula C11H22BrNO2 and molecular weight 279.08 g/mol. IUPAC: ethyl 2-(1-ethylpiperidin-1-ium-1-yl)acetate bromide.
Chemical Property Profile of 1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide
Property Insights of 1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide
The XLogP value of -1.4259 indicates that 1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide has 0 hydrogen bond donor(s) and 2 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-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide?
The CAS number of 1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide is 63887-36-5.
What is the molecular formula of 1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide?
The molecular formula of 1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide is C11H22BrNO2.
What is the molecular weight of 1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide?
The molecular weight of 1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide is 279.08 g/mol.
Where can I buy 1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide?
You can request a quote for 1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.