Buquinolate
TL;DR: Buquinolate (CAS 5486-03-3) is a chemical compound with molecular formula C20H27NO5 and molecular weight 361.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6,7-bis(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate
Also Known As: BUQUINOLATE, Butoril, Buquinolato, Bonaid, Buquinolatum
| Molecular Formula | C20H27NO5 |
|---|---|
| Molecular Weight | 361.19 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 361.18893 |
| Heavy Atoms | 26 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 5486-03-3 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)OCC(C)C)OCC(C)C |
| InChIKey | LVVXOXRUTDAKFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Buquinolate (CAS 5486-03-3), with molecular formula C20H27NO5 and molecular weight 361.19 g/mol. IUPAC: ethyl 6,7-bis(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate.
Chemical Property Profile of Buquinolate
Property Insights of Buquinolate
The XLogP value of 4.6 indicates that Buquinolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Buquinolate. Following Lipinski's Rule of Five, Buquinolate has 1 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 Buquinolate?
The CAS number of Buquinolate is 5486-03-3.
What is the molecular formula of Buquinolate?
The molecular formula of Buquinolate is C20H27NO5.
What is the molecular weight of Buquinolate?
The molecular weight of Buquinolate is 361.19 g/mol.
Where can I buy Buquinolate?
You can request a quote for Buquinolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buquinolate?
Yes, KEHONG BIO provides custom synthesis services for Buquinolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.