![2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione structure](/static/products/896/896809-81-7.png)
2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione
TL;DR: 2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione (CAS 896809-81-7) is a chemical compound with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-dimethylphenyl)-3-hydroxy-4-(2-hydroxyethyliminomethyl)isoquinolin-1-one
Also Known As: 2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione, (4E)-2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione, (4E)-2-(2,6-dimethylphenyl)-4-{[(2-hydroxyethyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione, (E)-2-(2,6-dimethylphenyl)-4-(((2-hydroxyethyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C20H20N2O3 |
|---|---|
| Molecular Weight | 336.15 g/mol |
| LogP | 2.72434 |
| Topological Polar Surface Area | 74.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.1474 |
| Heavy Atoms | 25 |
| Complexity | 999.11035 |
Chemical Identifiers
| CAS Number | 896809-81-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2C(=C(C3=CC=CC=C3C2=O)C=NCCO)O |
Product Overview
2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione (CAS 896809-81-7), with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol. IUPAC: 2-(2,6-dimethylphenyl)-3-hydroxy-4-(2-hydroxyethyliminomethyl)isoquinolin-1-one.
Chemical Property Profile of 2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione
Property Insights of 2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione
The XLogP value of 2.72434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione. The TPSA of 74.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 2-(2,6-dimethylphenyl)-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-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione?
The CAS number of 2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione is 896809-81-7.
What is the molecular formula of 2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione?
The molecular formula of 2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione is C20H20N2O3.
What is the molecular weight of 2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione?
The molecular weight of 2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione is 336.15 g/mol.
Where can I buy 2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione?
You can request a quote for 2-(2,6-dimethylphenyl)-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-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,6-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.