Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate
TL;DR: Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate (CAS 70939-52-5) is a chemical compound with molecular formula C21H35BrN2O3 and molecular weight 442.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-ethylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate bromide
Also Known As: 1-(2-Hydroxyethyl)-1-ethylpiperidinium bromide o-(pentyloxy)carbanilate, Piperidinium, 1-ethyl-1-(2-((((2-(pentyloxy)phenyl)amino)carbonyl)oxy)ethyl)-, bromide, Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate, 2-(1-ethylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate bromide, RefChem:373427
| Molecular Formula | C21H35BrN2O3 |
|---|---|
| Molecular Weight | 442.18 g/mol |
| LogP | 1.8287 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 442.1831 |
| Heavy Atoms | 27 |
| Complexity | 547.9832 |
Chemical Identifiers
| CAS Number | 70939-52-5 |
|---|---|
| SMILES | CCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)CC.[Br-] |
Product Overview
Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate (CAS 70939-52-5), with molecular formula C21H35BrN2O3 and molecular weight 442.18 g/mol. IUPAC: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate bromide.
Chemical Property Profile of Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate
Property Insights of Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate
The XLogP value of 1.8287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate. With a topological polar surface area (TPSA) of 47.56 Ų, Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate 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 Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate?
The CAS number of Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate is 70939-52-5.
What is the molecular formula of Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate?
The molecular formula of Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate is C21H35BrN2O3.
What is the molecular weight of Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate?
The molecular weight of Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate is 442.18 g/mol.
Where can I buy Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate?
You can request a quote for Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate 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-ethyl-, bromide, o-(pentyloxy)carbanilate?
Yes, KEHONG BIO provides custom synthesis services for Piperidinium, 1-(2-hydroxyethyl)-1-ethyl-, bromide, o-(pentyloxy)carbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.