Quincarbate
TL;DR: Quincarbate (CAS 54340-59-9) is a chemical compound with molecular formula C17H18ClNO6 and molecular weight 367.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 10-chloro-3-(ethoxymethyl)-9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylate
Also Known As: Quincarbate, Quincarbato, Quincarbatum, Quincarbate [INN], 2-ETHYL-N-BUTYRICACIDETHYLESTER
| Molecular Formula | C17H18ClNO6 |
|---|---|
| Molecular Weight | 367.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.08228 |
| Heavy Atoms | 25 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 54340-59-9 |
|---|---|
| SMILES | CCOCC1COC2=C(O1)C=C3C(=C2Cl)C(=O)C(=CN3)C(=O)OCC |
| InChIKey | AZOPNLGKZVSIIQ-UHFFFAOYSA-N |
Product Overview
Quincarbate (CAS 54340-59-9), with molecular formula C17H18ClNO6 and molecular weight 367.08 g/mol. IUPAC: ethyl 10-chloro-3-(ethoxymethyl)-9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylate.
Chemical Property Profile of Quincarbate
Property Insights of Quincarbate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quincarbate. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Quincarbate. Following Lipinski's Rule of Five, Quincarbate has 1 hydrogen bond donor(s) and 7 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 Quincarbate?
The CAS number of Quincarbate is 54340-59-9.
What is the molecular formula of Quincarbate?
The molecular formula of Quincarbate is C17H18ClNO6.
What is the molecular weight of Quincarbate?
The molecular weight of Quincarbate is 367.08 g/mol.
Where can I buy Quincarbate?
You can request a quote for Quincarbate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quincarbate?
Yes, KEHONG BIO provides custom synthesis services for Quincarbate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.