![2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione structure](/static/products/896/896822-91-6.png)
2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione
TL;DR: 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione (CAS 896822-91-6) is a chemical compound with molecular formula C19H14ClF3N2O3 and molecular weight 410.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-5-(trifluoromethyl)phenyl]-3-hydroxy-4-(2-hydroxyethyliminomethyl)isoquinolin-1-one
Also Known As: 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione, (4E)-2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione, (4E)-2-[2-chloro-5-(trifluoromethyl)phenyl]-4-{[(2-hydroxyethyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione, (E)-2-(2-chloro-5-(trifluoromethyl)phenyl)-4-(((2-hydroxyethyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C19H14ClF3N2O3 |
|---|---|
| Molecular Weight | 410.06 g/mol |
| LogP | 3.7797 |
| Topological Polar Surface Area | 74.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.0645 |
| Heavy Atoms | 28 |
| Complexity | 1123.8325 |
Chemical Identifiers
| CAS Number | 896822-91-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N(C2=O)C3=C(C=CC(=C3)C(F)(F)F)Cl)O)C=NCCO |
Product Overview
2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione (CAS 896822-91-6), with molecular formula C19H14ClF3N2O3 and molecular weight 410.06 g/mol. IUPAC: 2-[2-chloro-5-(trifluoromethyl)phenyl]-3-hydroxy-4-(2-hydroxyethyliminomethyl)isoquinolin-1-one.
Chemical Property Profile of 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione
Property Insights of 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione
The XLogP value of 3.7797 indicates that 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione has 2 hydrogen bond donor(s) and 4 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 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione?
The CAS number of 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione is 896822-91-6.
What is the molecular formula of 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione?
The molecular formula of 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione is C19H14ClF3N2O3.
What is the molecular weight of 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione?
The molecular weight of 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione is 410.06 g/mol.
Where can I buy 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione?
You can request a quote for 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]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 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.