Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide
TL;DR: Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide (CAS 17751-75-6) is a chemical compound with molecular formula C25H38BrNO and molecular weight 447.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-tert-butylphenyl)-2-octoxyethyl]pyridin-1-ium bromide
Also Known As: 1-(p-tert-Butyl-beta-(octyloxy)phenethyl)pyridinium bromide, Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide, 1-[2-(4-tert-butylphenyl)-2-octoxyethyl]pyridin-1-ium bromide, 1-[2-(4-TERT-BUTYLPHENYL)-2-(OCTYLOXY)ETHYL]PYRIDIN-1-IUM BROMIDE, RefChem:377038
| Molecular Formula | C25H38BrNO |
|---|---|
| Molecular Weight | 447.21 g/mol |
| LogP | 3.394 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 447.21368 |
| Heavy Atoms | 28 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 17751-75-6 |
|---|---|
| SMILES | CCCCCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C(C)(C)C.[Br-] |
| InChIKey | POVICKBGITXPIA-UHFFFAOYSA-M |
Product Overview
Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide (CAS 17751-75-6), with molecular formula C25H38BrNO and molecular weight 447.21 g/mol. IUPAC: 1-[2-(4-tert-butylphenyl)-2-octoxyethyl]pyridin-1-ium bromide.
Chemical Property Profile of Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide
Property Insights of Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide
The XLogP value of 3.394 indicates that Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.1 Ų, Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, 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 Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide?
The CAS number of Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide is 17751-75-6.
What is the molecular formula of Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide?
The molecular formula of Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide is C25H38BrNO.
What is the molecular weight of Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide?
The molecular weight of Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide is 447.21 g/mol.
Where can I buy Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide?
You can request a quote for Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 1-(p-tert-butyl-beta-(octyloxy)phenethyl)-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.