![(4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE structure](/static/products/433/433694-87-2.png)
(4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE
TL;DR: (4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE (CAS 433694-87-2) is a chemical compound with molecular formula C25H22N2O3 and molecular weight 398.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,5-dimethylphenyl)iminomethyl]-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one
Also Known As: (4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE, (4E)-4-[(3,5-dimethylanilino)methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3-dione, (4Z)-4-[(3,5-dimethylanilino)methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3-dione, 4-[(3,5-dimethylanilino)methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3-dione, 4-{[(3,5-dimethylphenyl)amino]methylene}-2-(4-methoxyphenyl)-1,3(2H,4H)-isoquinolinedione
| Molecular Formula | C25H22N2O3 |
|---|---|
| Molecular Weight | 398.16 g/mol |
| LogP | 5.07234 |
| Topological Polar Surface Area | 63.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.16306 |
| Heavy Atoms | 30 |
| Complexity | 1298.7981 |
Chemical Identifiers
| CAS Number | 433694-87-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N=CC2=C(N(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC)O)C |
Product Overview
(4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE (CAS 433694-87-2), with molecular formula C25H22N2O3 and molecular weight 398.16 g/mol. IUPAC: 4-[(3,5-dimethylphenyl)iminomethyl]-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one.
Chemical Property Profile of (4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE
Property Insights of (4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE
The XLogP value of 5.07234 indicates that (4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-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 (4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE. Following Lipinski's Rule of Five, (4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-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 (4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE?
The CAS number of (4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE is 433694-87-2.
What is the molecular formula of (4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE?
The molecular formula of (4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE is C25H22N2O3.
What is the molecular weight of (4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE?
The molecular weight of (4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE is 398.16 g/mol.
Where can I buy (4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE?
You can request a quote for (4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-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-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-{[(3,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.