![4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione structure](/static/products/896/896597-00-5.png)
4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione
TL;DR: 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione (CAS 896597-00-5) is a chemical compound with molecular formula C26H31N3O3 and molecular weight 433.24 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-(2,4,6-trimethylphenyl)isoquinolin-1-one
Also Known As: 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione, (E)-2-mesityl-4-(((3-morpholinopropyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione, (4E)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)-2-(2,4,6-trimethylphenyl)isoquinoline-1,3(2H,4H)-dione, (4E)-4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione
| Molecular Formula | C26H31N3O3 |
|---|---|
| Molecular Weight | 433.24 g/mol |
| LogP | 3.76276 |
| Topological Polar Surface Area | 67.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.23654 |
| Heavy Atoms | 32 |
| Complexity | 1183.8932 |
Chemical Identifiers
| CAS Number | 896597-00-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N2C(=C(C3=CC=CC=C3C2=O)C=NCCCN4CCOCC4)O)C |
Product Overview
4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione (CAS 896597-00-5), with molecular formula C26H31N3O3 and molecular weight 433.24 g/mol. IUPAC: 3-hydroxy-4-(3-morpholin-4-ylpropyliminomethyl)-2-(2,4,6-trimethylphenyl)isoquinolin-1-one.
Chemical Property Profile of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione
Property Insights of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione
The XLogP value of 3.76276 indicates that 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)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-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)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-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione?
The CAS number of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione is 896597-00-5.
What is the molecular formula of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione?
The molecular formula of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione is C26H31N3O3.
What is the molecular weight of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione?
The molecular weight of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione is 433.24 g/mol.
Where can I buy 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione?
You can request a quote for 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)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-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2,4,6-trimethylphenyl)isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.