![2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione structure](/static/products/896/896071-16-2.png)
2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione
TL;DR: 2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione (CAS 896071-16-2) is a chemical compound with molecular formula C25H29N3O5 and molecular weight 451.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethoxyphenyl)-3-hydroxy-4-(3-morpholin-4-ylpropyliminomethyl)isoquinolin-1-one
Also Known As: 2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione, (4E)-2-(2,5-dimethoxyphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione, (4E)-2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione, (E)-2-(2,5-dimethoxyphenyl)-4-(((3-morpholinopropyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C25H29N3O5 |
|---|---|
| Molecular Weight | 451.21 g/mol |
| LogP | 2.8547 |
| Topological Polar Surface Area | 85.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.21072 |
| Heavy Atoms | 33 |
| Complexity | 1198.602 |
Chemical Identifiers
| CAS Number | 896071-16-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=C(C3=CC=CC=C3C2=O)C=NCCCN4CCOCC4)O |
Product Overview
2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione (CAS 896071-16-2), with molecular formula C25H29N3O5 and molecular weight 451.21 g/mol. IUPAC: 2-(2,5-dimethoxyphenyl)-3-hydroxy-4-(3-morpholin-4-ylpropyliminomethyl)isoquinolin-1-one.
Chemical Property Profile of 2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione
Property Insights of 2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione
The XLogP value of 2.8547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione. The TPSA of 85.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione has 1 hydrogen bond donor(s) and 7 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-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione?
The CAS number of 2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione is 896071-16-2.
What is the molecular formula of 2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione?
The molecular formula of 2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione is C25H29N3O5.
What is the molecular weight of 2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione?
The molecular weight of 2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione is 451.21 g/mol.
Where can I buy 2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione?
You can request a quote for 2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)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-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-dimethoxyphenyl)-4-[(3-morpholin-4-ylpropylamino)methylidene]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.