Aablaquine
TL;DR: Aablaquine (CAS 79781-00-3) is a chemical compound with molecular formula C21H27N3O3 and molecular weight 369.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-2,3-dihydrofuran-4-yl]ethanone
Also Known As: Aablaquine, Elubaquine, Bulaquine, Compound 80/53, CDRI-80/53
| Molecular Formula | C21H27N3O3 |
|---|---|
| Molecular Weight | 369.21 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 369.20523 |
| Heavy Atoms | 27 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 79781-00-3 |
|---|---|
| SMILES | CC(CCCNC1=C(CCO1)C(=O)C)NC2=C3C(=CC(=C2)OC)C=CC=N3 |
| InChIKey | VBWGPCJBCKMMKS-UHFFFAOYSA-N |
Product Overview
Aablaquine (CAS 79781-00-3), with molecular formula C21H27N3O3 and molecular weight 369.21 g/mol. IUPAC: 1-[5-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-2,3-dihydrofuran-4-yl]ethanone.
Chemical Property Profile of Aablaquine
Property Insights of Aablaquine
The XLogP value of 4.0 indicates that Aablaquine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Aablaquine. Following Lipinski's Rule of Five, Aablaquine has 2 hydrogen bond donor(s) and 6 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 Aablaquine?
The CAS number of Aablaquine is 79781-00-3.
What is the molecular formula of Aablaquine?
The molecular formula of Aablaquine is C21H27N3O3.
What is the molecular weight of Aablaquine?
The molecular weight of Aablaquine is 369.21 g/mol.
Where can I buy Aablaquine?
You can request a quote for Aablaquine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aablaquine?
Yes, KEHONG BIO provides custom synthesis services for Aablaquine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.