Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate
TL;DR: Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate (CAS 69336-57-8) is a chemical compound with molecular formula C27H47BrN2O3 and molecular weight 526.28 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-heptoxyphenyl)carbamate bromide
Also Known As: KST-1B7962, 1-Hexyl-1-(2-hydroxyethyl)piperidinium bromide o-(heptyloxy)carbanilate, Piperidinium, 1-(2-((((2-(heptyloxy)phenyl)amino)carbonyl)oxy)ethyl)-1-hexyl-, bromide, Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate, 1-[2-({[2-(heptyloxy)phenyl]carbamoyl}oxy)ethyl]-1-hexylpiperidinium bromide
| Molecular Formula | C27H47BrN2O3 |
|---|---|
| Molecular Weight | 526.28 g/mol |
| LogP | 4.17 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 526.27704 |
| Heavy Atoms | 33 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 69336-57-8 |
|---|---|
| SMILES | CCCCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)CCCCCC.[Br-] |
| InChIKey | QAXVLPXRIUCUMC-UHFFFAOYSA-N |
Product Overview
Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate (CAS 69336-57-8), with molecular formula C27H47BrN2O3 and molecular weight 526.28 g/mol. IUPAC: 2-(1-hexylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide.
Chemical Property Profile of Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate
Property Insights of Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate
The XLogP value of 4.17 indicates that Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate?
The CAS number of Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate is 69336-57-8.
What is the molecular formula of Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate?
The molecular formula of Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate is C27H47BrN2O3.
What is the molecular weight of Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate?
The molecular weight of Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate is 526.28 g/mol.
Where can I buy Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate?
You can request a quote for Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)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-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate?
Yes, KEHONG BIO provides custom synthesis services for Piperidinium, 1-hexyl-1-(2-hydroxyethyl)-, bromide, o-(heptyloxy)carbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.