Octylpyridinium chloride
TL;DR: Octylpyridinium chloride (CAS 4086-73-1) is a chemical compound with molecular formula C13H22ClN and molecular weight 227.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-octylpyridin-1-ium chloride
Also Known As: 1-Octylpyridinium chloride, 1-octylpyridin-1-ium chloride, chloride, N-OCTYLPYRIDINIUM CHLORIDE, n-octylpyridiniumchloride
| Molecular Formula | C13H22ClN |
|---|---|
| Molecular Weight | 227.14 g/mol |
| LogP | 0.34 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 227.14407 |
| Heavy Atoms | 15 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 4086-73-1 |
|---|---|
| SMILES | CCCCCCCC[N+]1=CC=CC=C1.[Cl-] |
| InChIKey | OVIYAWWBKPWUOH-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octylpyridinium chloride (CAS 4086-73-1), with molecular formula C13H22ClN and molecular weight 227.14 g/mol. IUPAC: 1-octylpyridin-1-ium chloride.
Chemical Property Profile of Octylpyridinium chloride
Property Insights of Octylpyridinium chloride
The XLogP value of 0.34 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octylpyridinium chloride. With a topological polar surface area (TPSA) of 3.9 Ų, Octylpyridinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octylpyridinium chloride 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 Octylpyridinium chloride?
The CAS number of Octylpyridinium chloride is 4086-73-1.
What is the molecular formula of Octylpyridinium chloride?
The molecular formula of Octylpyridinium chloride is C13H22ClN.
What is the molecular weight of Octylpyridinium chloride?
The molecular weight of Octylpyridinium chloride is 227.14 g/mol.
Where can I buy Octylpyridinium chloride?
You can request a quote for Octylpyridinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octylpyridinium chloride?
Yes, KEHONG BIO provides custom synthesis services for Octylpyridinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.