1-Ethyl-1-hexylpiperidin-1-ium bromide
TL;DR: 1-Ethyl-1-hexylpiperidin-1-ium bromide (CAS 27942-17-2) is a chemical compound with molecular formula C13H28BrN and molecular weight 277.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-1-hexylpiperidin-1-ium bromide
Also Known As: 1-Ethyl-1-hexylpiperidinium bromide, 1-ethyl-1-hexylpiperidin-1-ium bromide, C(CCCCC)N1(CC)CCCCC1, Piperidinium, 1-ethyl-1-hexyl-, bromide, 1-ethyl-1-hexylpiperidin-1-ium,bromide
| Molecular Formula | C13H28BrN |
|---|---|
| Molecular Weight | 277.14 g/mol |
| LogP | 0.5913 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.1405 |
| Heavy Atoms | 15 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 27942-17-2 |
|---|---|
| SMILES | CCCCCC[N+]1(CCCCC1)CC.[Br-] |
| InChIKey | SWGHMPDKSJDTLD-UHFFFAOYSA-M |
Product Overview
1-Ethyl-1-hexylpiperidin-1-ium bromide (CAS 27942-17-2), with molecular formula C13H28BrN and molecular weight 277.14 g/mol. IUPAC: 1-ethyl-1-hexylpiperidin-1-ium bromide.
Chemical Property Profile of 1-Ethyl-1-hexylpiperidin-1-ium bromide
Property Insights of 1-Ethyl-1-hexylpiperidin-1-ium bromide
The XLogP value of 0.5913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-1-hexylpiperidin-1-ium bromide. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Ethyl-1-hexylpiperidin-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-1-hexylpiperidin-1-ium bromide has 0 hydrogen bond donor(s) and 1 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-Ethyl-1-hexylpiperidin-1-ium bromide?
The CAS number of 1-Ethyl-1-hexylpiperidin-1-ium bromide is 27942-17-2.
What is the molecular formula of 1-Ethyl-1-hexylpiperidin-1-ium bromide?
The molecular formula of 1-Ethyl-1-hexylpiperidin-1-ium bromide is C13H28BrN.
What is the molecular weight of 1-Ethyl-1-hexylpiperidin-1-ium bromide?
The molecular weight of 1-Ethyl-1-hexylpiperidin-1-ium bromide is 277.14 g/mol.
Where can I buy 1-Ethyl-1-hexylpiperidin-1-ium bromide?
You can request a quote for 1-Ethyl-1-hexylpiperidin-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-Ethyl-1-hexylpiperidin-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-1-hexylpiperidin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.