Decoquinate
TL;DR: Decoquinate (CAS 18507-89-6) is a chemical compound with molecular formula C24H35NO5 and molecular weight 417.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-decoxy-7-ethoxy-4-oxo-1H-quinoline-3-carboxylate
Also Known As: DECOQUINATE, Deccox, Decoxy, Decoquinato, Decoquinatum
| Molecular Formula | C24H35NO5 |
|---|---|
| Molecular Weight | 417.25 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 417.25153 |
| Heavy Atoms | 30 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 18507-89-6 |
|---|---|
| SMILES | CCCCCCCCCCOC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OCC)OCC |
| InChIKey | JHAYEQICABJSTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decoquinate (CAS 18507-89-6), with molecular formula C24H35NO5 and molecular weight 417.25 g/mol. IUPAC: ethyl 6-decoxy-7-ethoxy-4-oxo-1H-quinoline-3-carboxylate.
Chemical Property Profile of Decoquinate
Property Insights of Decoquinate
The XLogP value of 6.8 indicates that Decoquinate 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 Decoquinate. Following Lipinski's Rule of Five, Decoquinate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decoquinate?
The CAS number of Decoquinate is 18507-89-6.
What is the molecular formula of Decoquinate?
The molecular formula of Decoquinate is C24H35NO5.
What is the molecular weight of Decoquinate?
The molecular weight of Decoquinate is 417.25 g/mol.
Where can I buy Decoquinate?
You can request a quote for Decoquinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decoquinate?
Yes, KEHONG BIO provides custom synthesis services for Decoquinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.