Nicafenine
TL;DR: Nicafenine (CAS 64039-88-9) is a chemical compound with molecular formula C24H19ClN4O3 and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridine-3-carbonylamino)ethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate
Also Known As: Nicafenine, Nicafenina, Nicafeninum, ethyl glafenate, Nicafenine [INN]
| Molecular Formula | C24H19ClN4O3 |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.11456 |
| Heavy Atoms | 32 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 64039-88-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCCNC(=O)C2=CN=CC=C2)NC3=C4C=CC(=CC4=NC=C3)Cl |
| InChIKey | XHMFPDMOPBXSDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicafenine (CAS 64039-88-9), with molecular formula C24H19ClN4O3 and molecular weight 446.11 g/mol. IUPAC: 2-(pyridine-3-carbonylamino)ethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate.
Chemical Property Profile of Nicafenine
Property Insights of Nicafenine
The XLogP value of 4.7 indicates that Nicafenine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicafenine. Following Lipinski's Rule of Five, Nicafenine 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 Nicafenine?
The CAS number of Nicafenine is 64039-88-9.
What is the molecular formula of Nicafenine?
The molecular formula of Nicafenine is C24H19ClN4O3.
What is the molecular weight of Nicafenine?
The molecular weight of Nicafenine is 446.11 g/mol.
Where can I buy Nicafenine?
You can request a quote for Nicafenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicafenine?
Yes, KEHONG BIO provides custom synthesis services for Nicafenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.