![4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione structure](/static/products/892/892636-24-7.png)
4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
TL;DR: 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione (CAS 892636-24-7) is a chemical compound with molecular formula C24H24F3N3O3 and molecular weight 459.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-(3-morpholin-4-ylpropyliminomethyl)-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one
Also Known As: 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione, (4E)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione, (4E)-4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione, (E)-4-(((3-morpholinopropyl)amino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C24H24F3N3O3 |
|---|---|
| Molecular Weight | 459.18 g/mol |
| LogP | 3.8563 |
| Topological Polar Surface Area | 67.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.17697 |
| Heavy Atoms | 33 |
| Complexity | 1215.0256 |
Chemical Identifiers
| CAS Number | 892636-24-7 |
|---|---|
| SMILES | C1COCCN1CCCN=CC2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F)O |
Product Overview
4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione (CAS 892636-24-7), with molecular formula C24H24F3N3O3 and molecular weight 459.18 g/mol. IUPAC: 3-hydroxy-4-(3-morpholin-4-ylpropyliminomethyl)-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one.
Chemical Property Profile of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
Property Insights of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
The XLogP value of 3.8563 indicates that 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione 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 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione?
The CAS number of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione is 892636-24-7.
What is the molecular formula of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione?
The molecular formula of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione is C24H24F3N3O3.
What is the molecular weight of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione?
The molecular weight of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione is 459.18 g/mol.
Where can I buy 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione?
You can request a quote for 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.