![(4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione structure](/static/products/899/899396-70-4.png)
(4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
TL;DR: (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione (CAS 899396-70-4) is a chemical compound with molecular formula C24H26ClN3O3 and molecular weight 439.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-2-methylphenyl)-3-hydroxy-4-(3-morpholin-4-ylpropyliminomethyl)isoquinolin-1-one
Also Known As: (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione, (4E)-2-(3-chloro-2-methylphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione, (E)-2-(3-chloro-2-methylphenyl)-4-(((3-morpholinopropyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione, 2-(3-chloro-2-methyl-phenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione, 2-(3-chloro-2-methylphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione
| Molecular Formula | C24H26ClN3O3 |
|---|---|
| Molecular Weight | 439.17 g/mol |
| LogP | 3.79932 |
| Topological Polar Surface Area | 67.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.16626 |
| Heavy Atoms | 31 |
| Complexity | 1166.6786 |
Chemical Identifiers
| CAS Number | 899396-70-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2C(=C(C3=CC=CC=C3C2=O)C=NCCCN4CCOCC4)O |
Product Overview
(4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione (CAS 899396-70-4), with molecular formula C24H26ClN3O3 and molecular weight 439.17 g/mol. IUPAC: 2-(3-chloro-2-methylphenyl)-3-hydroxy-4-(3-morpholin-4-ylpropyliminomethyl)isoquinolin-1-one.
Chemical Property Profile of (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Property Insights of (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
The XLogP value of 3.79932 indicates that (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.06 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione. Following Lipinski's Rule of Five, (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)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 (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione?
The CAS number of (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione is 899396-70-4.
What is the molecular formula of (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione?
The molecular formula of (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione is C24H26ClN3O3.
What is the molecular weight of (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione?
The molecular weight of (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione is 439.17 g/mol.
Where can I buy (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione?
You can request a quote for (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)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 (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.