![(4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione structure](/static/products/896/896849-19-7.png)
(4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione
TL;DR: (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione (CAS 896849-19-7) is a chemical compound with molecular formula C21H14ClN3O2 and molecular weight 375.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-chloro-2-pyridinyl)iminomethyl]-3-hydroxy-2-phenylisoquinolin-1-one
Also Known As: (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione, (4E)-4-{[(5-chloropyridin-2-yl)amino]methylidene}-2-phenylisoquinoline-1,3(2H,4H)-dione, (E)-4-(((5-chloropyridin-2-yl)amino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione, 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione
| Molecular Formula | C21H14ClN3O2 |
|---|---|
| Molecular Weight | 375.08 g/mol |
| LogP | 4.4953 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.07745 |
| Heavy Atoms | 27 |
| Complexity | 1200.0073 |
Chemical Identifiers
| CAS Number | 896849-19-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4=NC=C(C=C4)Cl)O |
Product Overview
(4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione (CAS 896849-19-7), with molecular formula C21H14ClN3O2 and molecular weight 375.08 g/mol. IUPAC: 4-[(5-chloro-2-pyridinyl)iminomethyl]-3-hydroxy-2-phenylisoquinolin-1-one.
Chemical Property Profile of (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione
Property Insights of (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione
The XLogP value of 4.4953 indicates that (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-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 (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione. Following Lipinski's Rule of Five, (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione has 1 hydrogen bond donor(s) and 4 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 (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione?
The CAS number of (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione is 896849-19-7.
What is the molecular formula of (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione?
The molecular formula of (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione is C21H14ClN3O2.
What is the molecular weight of (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione?
The molecular weight of (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione is 375.08 g/mol.
Where can I buy (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione?
You can request a quote for (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-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 (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-phenylisoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.