![4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione structure](/static/products/896/896076-87-2.png)
4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione
TL;DR: 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione (CAS 896076-87-2) is a chemical compound with molecular formula C23H18ClN3O4 and molecular weight 435.10 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-(2,4-dimethoxyphenyl)-3-hydroxyisoquinolin-1-one
Also Known As: 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione, (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione, (4E)-4-{[(5-chloropyridin-2-yl)amino]methylidene}-2-(2,4-dimethoxyphenyl)isoquinoline-1,3(2H,4H)-dione, (E)-4-(((5-chloropyridin-2-yl)amino)methylene)-2-(2,4-dimethoxyphenyl)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C23H18ClN3O4 |
|---|---|
| Molecular Weight | 435.10 g/mol |
| LogP | 4.5125 |
| Topological Polar Surface Area | 85.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.09857 |
| Heavy Atoms | 31 |
| Complexity | 1347.7795 |
Chemical Identifiers
| CAS Number | 896076-87-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4=NC=C(C=C4)Cl)O)OC |
Product Overview
4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione (CAS 896076-87-2), with molecular formula C23H18ClN3O4 and molecular weight 435.10 g/mol. IUPAC: 4-[(5-chloro-2-pyridinyl)iminomethyl]-2-(2,4-dimethoxyphenyl)-3-hydroxyisoquinolin-1-one.
Chemical Property Profile of 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione
Property Insights of 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione
The XLogP value of 4.5125 indicates that 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-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 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione?
The CAS number of 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione is 896076-87-2.
What is the molecular formula of 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione?
The molecular formula of 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione is C23H18ClN3O4.
What is the molecular weight of 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione?
The molecular weight of 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione is 435.10 g/mol.
Where can I buy 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione?
You can request a quote for 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)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-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(2,4-dimethoxyphenyl)isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.