Nequinate
TL;DR: Nequinate (CAS 13997-19-8) is a chemical compound with molecular formula C22H23NO4 and molecular weight 365.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-butyl-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylate
Also Known As: NEQUINATE, Methyl benzoquate, Nequinato, Statyl, Neqoinate
| Molecular Formula | C22H23NO4 |
|---|---|
| Molecular Weight | 365.16 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.16272 |
| Heavy Atoms | 27 |
| Complexity | 553.0 |
| Melting Point | 287 - 288 °C |
Chemical Identifiers
| CAS Number | 13997-19-8 |
|---|---|
| SMILES | CCCCC1=CC2=C(C=C1OCC3=CC=CC=C3)NC=C(C2=O)C(=O)OC |
| InChIKey | NNOPDLNHPOLRRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nequinate (CAS 13997-19-8), with molecular formula C22H23NO4 and molecular weight 365.16 g/mol. IUPAC: methyl 6-butyl-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylate.
Chemical Property Profile of Nequinate
Property Insights of Nequinate
The XLogP value of 5.0 indicates that Nequinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Nequinate. Following Lipinski's Rule of Five, Nequinate has 1 hydrogen bond donor(s) and 5 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 Nequinate?
The CAS number of Nequinate is 13997-19-8.
What is the molecular formula of Nequinate?
The molecular formula of Nequinate is C22H23NO4.
What is the molecular weight of Nequinate?
The molecular weight of Nequinate is 365.16 g/mol.
Where can I buy Nequinate?
You can request a quote for Nequinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nequinate?
Yes, KEHONG BIO provides custom synthesis services for Nequinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.