![4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione structure](/static/products/565/565166-21-4.png)
4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione
TL;DR: 4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione (CAS 565166-21-4) is a chemical compound with molecular formula C25H21ClN2O3 and molecular weight 432.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2-(3,4-dimethylphenyl)-3-hydroxyisoquinolin-1-one
Also Known As: 4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione, (4E)-4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione, (4E)-4-{[(3-chloro-4-methoxyphenyl)amino]methylidene}-2-(3,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione, (E)-4-(((3-chloro-4-methoxyphenyl)amino)methylene)-2-(3,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione, 4-[[(3-chloro-4-methoxy-phenyl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione
| Molecular Formula | C25H21ClN2O3 |
|---|---|
| Molecular Weight | 432.12 g/mol |
| LogP | 5.72574 |
| Topological Polar Surface Area | 63.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.12408 |
| Heavy Atoms | 31 |
| Complexity | 1389.9093 |
Chemical Identifiers
| CAS Number | 565166-21-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4=CC(=C(C=C4)OC)Cl)O)C |
Product Overview
4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione (CAS 565166-21-4), with molecular formula C25H21ClN2O3 and molecular weight 432.12 g/mol. IUPAC: 4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2-(3,4-dimethylphenyl)-3-hydroxyisoquinolin-1-one.
Chemical Property Profile of 4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione
Property Insights of 4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione
The XLogP value of 5.72574 indicates that 4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione?
The CAS number of 4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione is 565166-21-4.
What is the molecular formula of 4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione?
The molecular formula of 4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione is C25H21ClN2O3.
What is the molecular weight of 4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione?
The molecular weight of 4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione is 432.12 g/mol.
Where can I buy 4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione?
You can request a quote for 4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)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-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-chloro-4-methoxyanilino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.