![4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione structure](/static/products/896/896077-84-2.png)
4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione
TL;DR: 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione (CAS 896077-84-2) is a chemical compound with molecular formula C24H27N3O3 and molecular weight 405.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-ethylpyrrolidin-2-yl)methyliminomethyl]-3-hydroxy-2-(3-methoxyphenyl)isoquinolin-1-one
Also Known As: 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione, (4E)-4-({[(1-ethylpyrrolidin-2-yl)methyl]amino}methylidene)-2-(3-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione, (4E)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione, (E)-4-((((1-ethylpyrrolidin-2-yl)methyl)amino)methylene)-2-(3-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C24H27N3O3 |
|---|---|
| Molecular Weight | 405.21 g/mol |
| LogP | 3.6081 |
| Topological Polar Surface Area | 67.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.20523 |
| Heavy Atoms | 30 |
| Complexity | 1136.2346 |
Chemical Identifiers
| CAS Number | 896077-84-2 |
|---|---|
| SMILES | CCN1CCCC1CN=CC2=C(N(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)OC)O |
Product Overview
4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione (CAS 896077-84-2), with molecular formula C24H27N3O3 and molecular weight 405.21 g/mol. IUPAC: 4-[(1-ethylpyrrolidin-2-yl)methyliminomethyl]-3-hydroxy-2-(3-methoxyphenyl)isoquinolin-1-one.
Chemical Property Profile of 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione
Property Insights of 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione
The XLogP value of 3.6081 indicates that 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)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-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione?
The CAS number of 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione is 896077-84-2.
What is the molecular formula of 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione?
The molecular formula of 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione is C24H27N3O3.
What is the molecular weight of 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione?
The molecular weight of 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione is 405.21 g/mol.
Where can I buy 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione?
You can request a quote for 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)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-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.