![4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione structure](/static/products/887/887346-08-9.png)
4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione
TL;DR: 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione (CAS 887346-08-9) is a chemical compound with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzyliminomethyl)-2-(2,5-dimethoxyphenyl)-3-hydroxyisoquinolin-1-one
Also Known As: 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione, (4E)-4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3(2H,4H)-dione, (4E)-4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione, (4Z)-4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione, (E)-4-((benzylamino)methylene)-2-(2,5-dimethoxyphenyl)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C25H22N2O4 |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 4.3326 |
| Topological Polar Surface Area | 73.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.15796 |
| Heavy Atoms | 31 |
| Complexity | 1310.6554 |
Chemical Identifiers
| CAS Number | 887346-08-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=C(C3=CC=CC=C3C2=O)C=NCC4=CC=CC=C4)O |
Product Overview
4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione (CAS 887346-08-9), with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol. IUPAC: 4-(benzyliminomethyl)-2-(2,5-dimethoxyphenyl)-3-hydroxyisoquinolin-1-one.
Chemical Property Profile of 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione
Property Insights of 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione
The XLogP value of 4.3326 indicates that 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)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 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)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 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione?
The CAS number of 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione is 887346-08-9.
What is the molecular formula of 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione?
The molecular formula of 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione is C25H22N2O4.
What is the molecular weight of 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione?
The molecular weight of 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione is 414.16 g/mol.
Where can I buy 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione?
You can request a quote for 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)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 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(benzylamino)methylidene]-2-(2,5-dimethoxyphenyl)isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.