![4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione structure](/static/products/892/892618-28-9.png)
4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione
TL;DR: 4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione (CAS 892618-28-9) is a chemical compound with molecular formula C18H15N3O5 and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-(2-hydroxyethyliminomethyl)-2-(2-nitrophenyl)isoquinolin-1-one
Also Known As: 4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione, (E)-4-(((2-hydroxyethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione, (4E)-4-{[(2-hydroxyethyl)amino]methylidene}-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C18H15N3O5 |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 2.0157 |
| Topological Polar Surface Area | 117.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.10117 |
| Heavy Atoms | 26 |
| Complexity | 1072.0999 |
Chemical Identifiers
| CAS Number | 892618-28-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N(C2=O)C3=CC=CC=C3[N+](=O)[O-])O)C=NCCO |
Product Overview
4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione (CAS 892618-28-9), with molecular formula C18H15N3O5 and molecular weight 353.10 g/mol. IUPAC: 3-hydroxy-4-(2-hydroxyethyliminomethyl)-2-(2-nitrophenyl)isoquinolin-1-one.
Chemical Property Profile of 4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione
Property Insights of 4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione
The XLogP value of 2.0157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione. The TPSA of 117.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione 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 4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione?
The CAS number of 4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione is 892618-28-9.
What is the molecular formula of 4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione?
The molecular formula of 4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione is C18H15N3O5.
What is the molecular weight of 4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione?
The molecular weight of 4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione is 353.10 g/mol.
Where can I buy 4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione?
You can request a quote for 4-[(2-hydroxyethylamino)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-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-hydroxyethylamino)methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.