Acequinoline
TL;DR: Acequinoline (CAS 5419-52-3) is a chemical compound with molecular formula C14H15NO2 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-methoxy-2,4-dimethylquinolin-3-yl)ethanone
Also Known As: Acequinoline, Acequinolina, Acequinolinum, Acequinoline [INN:DCF], ACEQUINOLINE [INN]
| Molecular Formula | C14H15NO2 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.11028 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 5419-52-3 |
|---|---|
| SMILES | CC1=C2C=CC(=CC2=NC(=C1C(=O)C)C)OC |
| InChIKey | JKZQRPQTPLGSDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acequinoline (CAS 5419-52-3), with molecular formula C14H15NO2 and molecular weight 229.11 g/mol. IUPAC: 1-(7-methoxy-2,4-dimethylquinolin-3-yl)ethanone.
Chemical Property Profile of Acequinoline
Property Insights of Acequinoline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acequinoline. With a topological polar surface area (TPSA) of 39.2 Ų, Acequinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acequinoline has 0 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 Acequinoline?
The CAS number of Acequinoline is 5419-52-3.
What is the molecular formula of Acequinoline?
The molecular formula of Acequinoline is C14H15NO2.
What is the molecular weight of Acequinoline?
The molecular weight of Acequinoline is 229.11 g/mol.
Where can I buy Acequinoline?
You can request a quote for Acequinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acequinoline?
Yes, KEHONG BIO provides custom synthesis services for Acequinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.