![4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione structure](/static/products/565/565166-13-4.png)
4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione
TL;DR: 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione (CAS 565166-13-4) is a chemical compound with molecular formula C23H18ClN3O2 and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-chloro-2-pyridinyl)iminomethyl]-2-(3,4-dimethylphenyl)-3-hydroxyisoquinolin-1-one
Also Known As: 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione, (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione, (4E)-4-{[(5-chloropyridin-2-yl)amino]methylidene}-2-(3,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione, (4Z)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione, (E)-4-(((5-chloropyridin-2-yl)amino)methylene)-2-(3,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C23H18ClN3O2 |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 5.11214 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.10876 |
| Heavy Atoms | 29 |
| Complexity | 1308.5015 |
Chemical Identifiers
| CAS Number | 565166-13-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4=NC=C(C=C4)Cl)O)C |
Product Overview
4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione (CAS 565166-13-4), with molecular formula C23H18ClN3O2 and molecular weight 403.11 g/mol. IUPAC: 4-[(5-chloro-2-pyridinyl)iminomethyl]-2-(3,4-dimethylphenyl)-3-hydroxyisoquinolin-1-one.
Chemical Property Profile of 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione
Property Insights of 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione
The XLogP value of 5.11214 indicates that 4-[[(5-chloropyridin-2-yl)amino]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 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 4-[[(5-chloropyridin-2-yl)amino]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-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione?
The CAS number of 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione is 565166-13-4.
What is the molecular formula of 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione?
The molecular formula of 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione is C23H18ClN3O2.
What is the molecular weight of 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione?
The molecular weight of 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione is 403.11 g/mol.
Where can I buy 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione?
You can request a quote for 4-[[(5-chloropyridin-2-yl)amino]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-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.