2-heptyl-3-hydroxyquinolin-4(1H)-one
TL;DR: 2-heptyl-3-hydroxyquinolin-4(1H)-one (CAS 108985-27-9) is a chemical compound with molecular formula C16H21NO2 and molecular weight 259.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptyl-3-hydroxy-3H-quinolin-4-one
Also Known As: 2-heptyl-3-hydroxyquinolin-4(1H)-one, 2-heptyl-3-hydroxy-3H-quinolin-4-one, 2-Heptyl-3-hydroxy-quinolone, 2-Heptyl-3-hydroxyl-4-quinolone, 4(1H)-Quinolinone,2-heptyl-3-hydroxy-
| Molecular Formula | C16H21NO2 |
|---|---|
| Molecular Weight | 259.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.15723 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 108985-27-9 |
|---|---|
| SMILES | CCCCCCCC1=NC2=CC=CC=C2C(=O)C1O |
| InChIKey | IRNQEHWHRAZAPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-heptyl-3-hydroxyquinolin-4(1H)-one (CAS 108985-27-9), with molecular formula C16H21NO2 and molecular weight 259.16 g/mol. IUPAC: 2-heptyl-3-hydroxy-3H-quinolin-4-one.
Chemical Property Profile of 2-heptyl-3-hydroxyquinolin-4(1H)-one
Property Insights of 2-heptyl-3-hydroxyquinolin-4(1H)-one
The XLogP value of 3.8 indicates that 2-heptyl-3-hydroxyquinolin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 2-heptyl-3-hydroxyquinolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-heptyl-3-hydroxyquinolin-4(1H)-one has 1 hydrogen bond donor(s) and 3 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 2-heptyl-3-hydroxyquinolin-4(1H)-one?
The CAS number of 2-heptyl-3-hydroxyquinolin-4(1H)-one is 108985-27-9.
What is the molecular formula of 2-heptyl-3-hydroxyquinolin-4(1H)-one?
The molecular formula of 2-heptyl-3-hydroxyquinolin-4(1H)-one is C16H21NO2.
What is the molecular weight of 2-heptyl-3-hydroxyquinolin-4(1H)-one?
The molecular weight of 2-heptyl-3-hydroxyquinolin-4(1H)-one is 259.16 g/mol.
Where can I buy 2-heptyl-3-hydroxyquinolin-4(1H)-one?
You can request a quote for 2-heptyl-3-hydroxyquinolin-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-heptyl-3-hydroxyquinolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-heptyl-3-hydroxyquinolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.