![4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione structure](/static/products/887/887345-98-4.png)
4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione
TL;DR: 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione (CAS 887345-98-4) is a chemical compound with molecular formula C23H24N4O5 and molecular weight 436.17 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-nitrophenyl)isoquinolin-1-one
Also Known As: 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione, (4E)-4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione, (4E)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione, (E)-4-(((3-morpholinopropyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C23H24N4O5 |
|---|---|
| Molecular Weight | 436.17 g/mol |
| LogP | 2.7457 |
| Topological Polar Surface Area | 110.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.17468 |
| Heavy Atoms | 32 |
| Complexity | 1214.7225 |
Chemical Identifiers
| CAS Number | 887345-98-4 |
|---|---|
| SMILES | C1COCCN1CCCN=CC2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4[N+](=O)[O-])O |
Product Overview
4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione (CAS 887345-98-4), with molecular formula C23H24N4O5 and molecular weight 436.17 g/mol. IUPAC: 3-hydroxy-4-(3-morpholin-4-ylpropyliminomethyl)-2-(2-nitrophenyl)isoquinolin-1-one.
Chemical Property Profile of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione
Property Insights of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione
The XLogP value of 2.7457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione. The TPSA of 110.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione has 1 hydrogen bond donor(s) and 7 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-nitrophenyl)isoquinoline-1,3-dione?
The CAS number of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione is 887345-98-4.
What is the molecular formula of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione?
The molecular formula of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione is C23H24N4O5.
What is the molecular weight of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione?
The molecular weight of 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione is 436.17 g/mol.
Where can I buy 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione?
You can request a quote for 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)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-nitrophenyl)isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-morpholin-4-ylpropylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.