(E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione
TL;DR: (E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione (CAS 892624-06-5) is a chemical compound with molecular formula C18H13F3N2O2 and molecular weight 346.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one
Also Known As: (E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione, 4-(methylaminomethylidene)-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione, (4E)-4-(methylaminomethylidene)-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione, (4E)-4-[(methylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C18H13F3N2O2 |
|---|---|
| Molecular Weight | 346.09 g/mol |
| LogP | 3.7638 |
| Topological Polar Surface Area | 54.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.09293 |
| Heavy Atoms | 25 |
| Complexity | 1036.6511 |
Chemical Identifiers
| CAS Number | 892624-06-5 |
|---|---|
| SMILES | CN=CC1=C(N(C(=O)C2=CC=CC=C21)C3=CC=CC(=C3)C(F)(F)F)O |
Product Overview
(E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione (CAS 892624-06-5), with molecular formula C18H13F3N2O2 and molecular weight 346.09 g/mol. IUPAC: 3-hydroxy-4-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one.
Chemical Property Profile of (E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione
Property Insights of (E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione
The XLogP value of 3.7638 indicates that (E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.59 Ų, (E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione has 1 hydrogen bond donor(s) and 3 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 (E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione?
The CAS number of (E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione is 892624-06-5.
What is the molecular formula of (E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione?
The molecular formula of (E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione is C18H13F3N2O2.
What is the molecular weight of (E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione?
The molecular weight of (E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione is 346.09 g/mol.
Where can I buy (E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione?
You can request a quote for (E)-4-((methylamino)methylene)-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 (E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((methylamino)methylene)-2-(3-(trifluoromethyl)phenyl)isoquinoline-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.