(E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
TL;DR: (E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione (CAS 887345-80-4) is a chemical compound with molecular formula C25H20N2O4 and molecular weight 412.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-acetylphenyl)iminomethyl]-3-hydroxy-2-(2-methoxyphenyl)isoquinolin-1-one
Also Known As: (E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione, 4-[(4-acetylanilino)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione, (4E)-4-[(4-acetylanilino)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione, (4Z)-4-[(4-acetylanilino)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione, (4E)-4-{[(4-acetylphenyl)amino]methylidene}-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C25H20N2O4 |
|---|---|
| Molecular Weight | 412.14 g/mol |
| LogP | 4.6581 |
| Topological Polar Surface Area | 80.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.1423 |
| Heavy Atoms | 31 |
| Complexity | 1368.924 |
Chemical Identifiers
| CAS Number | 887345-80-4 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N=CC2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4OC)O |
Product Overview
(E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione (CAS 887345-80-4), with molecular formula C25H20N2O4 and molecular weight 412.14 g/mol. IUPAC: 4-[(4-acetylphenyl)iminomethyl]-3-hydroxy-2-(2-methoxyphenyl)isoquinolin-1-one.
Chemical Property Profile of (E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Property Insights of (E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
The XLogP value of 4.6581 indicates that (E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione. Following Lipinski's Rule of Five, (E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-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 (E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione?
The CAS number of (E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione is 887345-80-4.
What is the molecular formula of (E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione?
The molecular formula of (E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione is C25H20N2O4.
What is the molecular weight of (E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione?
The molecular weight of (E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione is 412.14 g/mol.
Where can I buy (E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione?
You can request a quote for (E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)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-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(((4-acetylphenyl)amino)methylene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.