![(4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione structure](/static/products/116/1164475-25-5.png)
(4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione
TL;DR: (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione (CAS 1164475-25-5) is a chemical compound with molecular formula C25H20N2O4 and molecular weight 412.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yliminomethyl)-2-(3,4-dimethylphenyl)-3-hydroxyisoquinolin-1-one
Also Known As: (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione, 4-[1-(Benzo[1,3]dioxol-5-ylamino)-meth-(E)-ylidene]-2-(3,4-dimethyl-phenyl)-4H-isoquinoline-1,3-dione, 4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione, (4E)-4-[(1,3-benzodioxol-5-ylamino)methylene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-quinone, (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C25H20N2O4 |
|---|---|
| Molecular Weight | 412.14 g/mol |
| LogP | 4.79244 |
| Topological Polar Surface Area | 73.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.1423 |
| Heavy Atoms | 31 |
| Complexity | 1419.461 |
Chemical Identifiers
| CAS Number | 1164475-25-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4=CC5=C(C=C4)OCO5)O)C |
Product Overview
(4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione (CAS 1164475-25-5), with molecular formula C25H20N2O4 and molecular weight 412.14 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yliminomethyl)-2-(3,4-dimethylphenyl)-3-hydroxyisoquinolin-1-one.
Chemical Property Profile of (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione
Property Insights of (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione
The XLogP value of 4.79244 indicates that (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione. Following Lipinski's Rule of Five, (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-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)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione?
The CAS number of (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione is 1164475-25-5.
What is the molecular formula of (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione?
The molecular formula of (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione is C25H20N2O4.
What is the molecular weight of (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione?
The molecular weight of (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione is 412.14 g/mol.
Where can I buy (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione?
You can request a quote for (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)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 (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.