![2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione structure](/static/products/896/896067-56-4.png)
2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione
TL;DR: 2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione (CAS 896067-56-4) is a chemical compound with molecular formula C22H24N2O3 and molecular weight 364.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-(3-methoxyphenyl)-4-(3-methylbutyliminomethyl)isoquinolin-1-one
Also Known As: 2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione, (E)-4-((isopentylamino)methylene)-2-(3-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione, (4E)-2-(3-methoxyphenyl)-4-{[(3-methylbutyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C22H24N2O3 |
|---|---|
| Molecular Weight | 364.18 g/mol |
| LogP | 4.1699 |
| Topological Polar Surface Area | 63.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.17868 |
| Heavy Atoms | 27 |
| Complexity | 1035.3976 |
Chemical Identifiers
| CAS Number | 896067-56-4 |
|---|---|
| SMILES | CC(C)CCN=CC1=C(N(C(=O)C2=CC=CC=C21)C3=CC(=CC=C3)OC)O |
Product Overview
2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione (CAS 896067-56-4), with molecular formula C22H24N2O3 and molecular weight 364.18 g/mol. IUPAC: 3-hydroxy-2-(3-methoxyphenyl)-4-(3-methylbutyliminomethyl)isoquinolin-1-one.
Chemical Property Profile of 2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione
Property Insights of 2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione
The XLogP value of 4.1699 indicates that 2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione has 1 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-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione?
The CAS number of 2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione is 896067-56-4.
What is the molecular formula of 2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione?
The molecular formula of 2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione is C22H24N2O3.
What is the molecular weight of 2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione?
The molecular weight of 2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione is 364.18 g/mol.
Where can I buy 2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione?
You can request a quote for 2-(3-methoxyphenyl)-4-[(3-methylbutylamino)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-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.