(E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione
TL;DR: (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione (CAS 887346-02-3) is a chemical compound with molecular formula C25H21N3O5 and molecular weight 443.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-[2-(4-methoxyphenyl)ethyliminomethyl]-2-(2-nitrophenyl)isoquinolin-1-one
Also Known As: (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione, 4-[[2-(4-methoxyphenyl)ethylamino]methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione, (4E)-4-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione, (4Z)-4-[[2-(4-methoxyphenyl)ethylamino]methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione, 4-({[2-(4-methoxyphenyl)ethyl]amino}methylene)-2-(2-nitrophenyl)-2-hydroisoqui noline-1,3-dione
| Molecular Formula | C25H21N3O5 |
|---|---|
| Molecular Weight | 443.15 g/mol |
| LogP | 4.2747 |
| Topological Polar Surface Area | 106.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.14813 |
| Heavy Atoms | 33 |
| Complexity | 1408.2413 |
Chemical Identifiers
| CAS Number | 887346-02-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCN=CC2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4[N+](=O)[O-])O |
Product Overview
(E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione (CAS 887346-02-3), with molecular formula C25H21N3O5 and molecular weight 443.15 g/mol. IUPAC: 3-hydroxy-4-[2-(4-methoxyphenyl)ethyliminomethyl]-2-(2-nitrophenyl)isoquinolin-1-one.
Chemical Property Profile of (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione
Property Insights of (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione
The XLogP value of 4.2747 indicates that (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione. Following Lipinski's Rule of Five, (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione has 1 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 (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione?
The CAS number of (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione is 887346-02-3.
What is the molecular formula of (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione?
The molecular formula of (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione is C25H21N3O5.
What is the molecular weight of (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione?
The molecular weight of (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione is 443.15 g/mol.
Where can I buy (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione?
You can request a quote for (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(((4-methoxyphenethyl)amino)methylene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.