Piperidinium, 1-(2-hydroxyethyl)-1-hexyl-, bromide, o-(pentyloxy)carbanilate
TL;DR: Piperidinium, 1-(2-hydroxyethyl)-1-hexyl-, bromide, o-(pentyloxy)carbanilate (CAS 70939-56-9) is a chemical compound with molecular formula C25H43BrN2O3 and molecular weight 498.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-hexylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate bromide
Also Known As: 1-(2-Hydroxyethyl)-1-hexylpiperidinium bromide o-(pentyloxy)carbanilate, Piperidinium, 1-hexyl-1-(2-((((2-(pentyloxy)phenyl)amino)carbonyl)oxy)ethyl)-, bromide, Piperidinium, 1-(2-hydroxyethyl)-1-hexyl-, bromide, o-(pentyloxy)carbanilate, 2-(1-hexylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate bromide, RefChem:373429
| Molecular Formula | C25H43BrN2O3 |
|---|---|
| Molecular Weight | 498.25 g/mol |
| LogP | 3.3891 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 498.2457 |
| Heavy Atoms | 31 |
| Complexity | 606.1848 |
Chemical Identifiers
| CAS Number | 70939-56-9 |
|---|---|
| SMILES | CCCCCC[N+]1(CCCCC1)CCOC(=O)NC2=CC=CC=C2OCCCCC.[Br-] |
Product Overview
Piperidinium, 1-(2-hydroxyethyl)-1-hexyl-, bromide, o-(pentyloxy)carbanilate (CAS 70939-56-9), with molecular formula C25H43BrN2O3 and molecular weight 498.25 g/mol. IUPAC: 2-(1-hexylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate bromide.
Chemical Property Profile of Piperidinium, 1-(2-hydroxyethyl)-1-hexyl-, bromide, o-(pentyloxy)carbanilate
Property Insights of Piperidinium, 1-(2-hydroxyethyl)-1-hexyl-, bromide, o-(pentyloxy)carbanilate
The XLogP value of 3.3891 indicates that Piperidinium, 1-(2-hydroxyethyl)-1-hexyl-, bromide, o-(pentyloxy)carbanilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, Piperidinium, 1-(2-hydroxyethyl)-1-hexyl-, 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-hexyl-, 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-hexyl-, bromide, o-(pentyloxy)carbanilate?
The CAS number of Piperidinium, 1-(2-hydroxyethyl)-1-hexyl-, bromide, o-(pentyloxy)carbanilate is 70939-56-9.
What is the molecular formula of Piperidinium, 1-(2-hydroxyethyl)-1-hexyl-, bromide, o-(pentyloxy)carbanilate?
The molecular formula of Piperidinium, 1-(2-hydroxyethyl)-1-hexyl-, bromide, o-(pentyloxy)carbanilate is C25H43BrN2O3.
What is the molecular weight of Piperidinium, 1-(2-hydroxyethyl)-1-hexyl-, bromide, o-(pentyloxy)carbanilate?
The molecular weight of Piperidinium, 1-(2-hydroxyethyl)-1-hexyl-, bromide, o-(pentyloxy)carbanilate is 498.25 g/mol.
Where can I buy Piperidinium, 1-(2-hydroxyethyl)-1-hexyl-, bromide, o-(pentyloxy)carbanilate?
You can request a quote for Piperidinium, 1-(2-hydroxyethyl)-1-hexyl-, 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-hexyl-, bromide, o-(pentyloxy)carbanilate?
Yes, KEHONG BIO provides custom synthesis services for Piperidinium, 1-(2-hydroxyethyl)-1-hexyl-, bromide, o-(pentyloxy)carbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.