2-Octylquinolin-4(1H)-one
TL;DR: 2-Octylquinolin-4(1H)-one (CAS 80554-60-5) is a chemical compound with molecular formula C17H23NO and molecular weight 257.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octyl-1H-quinolin-4-one
Also Known As: 2-Octylquinolin-4(1H)-one, 2-Octyl-4(1H)-quinolone, 2-n-octyl-4-hydroxyquinoline, 2-octyl-1H-quinolin-4-one, 2-Octyl-4(1H)-quinolinone
| Molecular Formula | C17H23NO |
|---|---|
| Molecular Weight | 257.18 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 257.17798 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 80554-60-5 |
|---|---|
| SMILES | CCCCCCCCC1=CC(=O)C2=CC=CC=C2N1 |
| InChIKey | YODYNZHLZUOZLK-UHFFFAOYSA-N |
Product Overview
2-Octylquinolin-4(1H)-one (CAS 80554-60-5), with molecular formula C17H23NO and molecular weight 257.18 g/mol. IUPAC: 2-octyl-1H-quinolin-4-one.
Chemical Property Profile of 2-Octylquinolin-4(1H)-one
Property Insights of 2-Octylquinolin-4(1H)-one
The XLogP value of 5.4 indicates that 2-Octylquinolin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2-Octylquinolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octylquinolin-4(1H)-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Octylquinolin-4(1H)-one?
The CAS number of 2-Octylquinolin-4(1H)-one is 80554-60-5.
What is the molecular formula of 2-Octylquinolin-4(1H)-one?
The molecular formula of 2-Octylquinolin-4(1H)-one is C17H23NO.
What is the molecular weight of 2-Octylquinolin-4(1H)-one?
The molecular weight of 2-Octylquinolin-4(1H)-one is 257.18 g/mol.
Where can I buy 2-Octylquinolin-4(1H)-one?
You can request a quote for 2-Octylquinolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octylquinolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Octylquinolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.