![(4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione structure](/static/products/721/721415-83-4.png)
(4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione
TL;DR: (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione (CAS 721415-83-4) is a chemical compound with molecular formula C24H15F3N2O4 and molecular weight 452.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yliminomethyl)-3-hydroxy-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one
Also Known As: (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione, (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione, (4Z)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione, (E)-4-((benzo[d][1,3]dioxol-5-ylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione, 4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
| Molecular Formula | C24H15F3N2O4 |
|---|---|
| Molecular Weight | 452.10 g/mol |
| LogP | 5.1944 |
| Topological Polar Surface Area | 73.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.0984 |
| Heavy Atoms | 33 |
| Complexity | 1475.2866 |
Chemical Identifiers
| CAS Number | 721415-83-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N=CC3=C(N(C(=O)C4=CC=CC=C43)C5=CC=CC(=C5)C(F)(F)F)O |
Product Overview
(4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione (CAS 721415-83-4), with molecular formula C24H15F3N2O4 and molecular weight 452.10 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yliminomethyl)-3-hydroxy-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one.
Chemical Property Profile of (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione
Property Insights of (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione
The XLogP value of 5.1944 indicates that (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-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-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione. Following Lipinski's Rule of Five, (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione has 1 hydrogen bond donor(s) and 5 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-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione?
The CAS number of (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione is 721415-83-4.
What is the molecular formula of (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione?
The molecular formula of (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione is C24H15F3N2O4.
What is the molecular weight of (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione?
The molecular weight of (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione is 452.10 g/mol.
Where can I buy (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione?
You can request a quote for (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]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)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.