![2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione structure](/static/products/896/896827-07-9.png)
2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione
TL;DR: 2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione (CAS 896827-07-9) is a chemical compound with molecular formula C25H29N3O2 and molecular weight 403.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dimethylphenyl)-4-[(1-ethylpyrrolidin-2-yl)methyliminomethyl]-3-hydroxyisoquinolin-1-one
Also Known As: 2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione, (4E)-2-(2,4-dimethylphenyl)-4-({[(1-ethylpyrrolidin-2-yl)methyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione, (4E)-2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione, (E)-2-(2,4-dimethylphenyl)-4-((((1-ethylpyrrolidin-2-yl)methyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C25H29N3O2 |
|---|---|
| Molecular Weight | 403.23 g/mol |
| LogP | 4.21634 |
| Topological Polar Surface Area | 57.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.22598 |
| Heavy Atoms | 30 |
| Complexity | 1163.0028 |
Chemical Identifiers
| CAS Number | 896827-07-9 |
|---|---|
| SMILES | CCN1CCCC1CN=CC2=C(N(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)C)C)O |
Product Overview
2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione (CAS 896827-07-9), with molecular formula C25H29N3O2 and molecular weight 403.23 g/mol. IUPAC: 2-(2,4-dimethylphenyl)-4-[(1-ethylpyrrolidin-2-yl)methyliminomethyl]-3-hydroxyisoquinolin-1-one.
Chemical Property Profile of 2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione
Property Insights of 2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione
The XLogP value of 4.21634 indicates that 2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.83 Ų, 2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]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-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione?
The CAS number of 2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione is 896827-07-9.
What is the molecular formula of 2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione?
The molecular formula of 2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione is C25H29N3O2.
What is the molecular weight of 2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione?
The molecular weight of 2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione is 403.23 g/mol.
Where can I buy 2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione?
You can request a quote for 2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]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-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.