(E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione
TL;DR: (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione (CAS 749916-57-2) is a chemical compound with molecular formula C23H16ClFN2O3 and molecular weight 422.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-4-fluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)iminomethyl]isoquinolin-1-one
Also Known As: (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione, (4E)-2-(2-chloro-4-fluorophenyl)-4-[(3-methoxyanilino)methylidene]isoquinoline-1,3-dione, 2-(2-chloro-4-fluoro-phenyl)-4-[[(3-methoxyphenyl)amino]methylidene]isoquinoline-1,3-dione, 2-(2-chloro-4-fluorophenyl)-4-[(3-methoxyanilino)methylidene]isoquinoline-1,3-dione, (4E)-2-(2-chloro-4-fluorophenyl)-4-{[(3-methoxyphenyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C23H16ClFN2O3 |
|---|---|
| Molecular Weight | 422.08 g/mol |
| LogP | 5.248 |
| Topological Polar Surface Area | 63.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.08334 |
| Heavy Atoms | 30 |
| Complexity | 1348.3525 |
Chemical Identifiers
| CAS Number | 749916-57-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N=CC2=C(N(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)Cl)O |
Product Overview
(E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione (CAS 749916-57-2), with molecular formula C23H16ClFN2O3 and molecular weight 422.08 g/mol. IUPAC: 2-(2-chloro-4-fluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)iminomethyl]isoquinolin-1-one.
Chemical Property Profile of (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione
Property Insights of (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione
The XLogP value of 5.248 indicates that (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-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 (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione. Following Lipinski's Rule of Five, (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-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 (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione?
The CAS number of (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione is 749916-57-2.
What is the molecular formula of (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione?
The molecular formula of (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione is C23H16ClFN2O3.
What is the molecular weight of (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione?
The molecular weight of (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione is 422.08 g/mol.
Where can I buy (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione?
You can request a quote for (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)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 (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(2-chloro-4-fluorophenyl)-4-(((3-methoxyphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.