![(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione structure](/static/products/585/585559-20-2.png)
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione
TL;DR: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione (CAS 585559-20-2) is a chemical compound with molecular formula C26H31N3O5 and molecular weight 465.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[4-(dimethylamino)phenyl]-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione
Also Known As: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione, 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-5-(4-(dimethylamino)phenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C26H31N3O5 |
|---|---|
| Molecular Weight | 465.23 g/mol |
| LogP | 2.8972 |
| Topological Polar Surface Area | 82.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.22638 |
| Heavy Atoms | 34 |
| Complexity | 1107.9192 |
Chemical Identifiers
| CAS Number | 585559-20-2 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC3=C(C=C2)OCCO3)\O)/C(=O)C1=O)C4=CC=C(C=C4)N(C)C |
Product Overview
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione (CAS 585559-20-2), with molecular formula C26H31N3O5 and molecular weight 465.23 g/mol. IUPAC: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[4-(dimethylamino)phenyl]-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione.
Chemical Property Profile of (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione
Property Insights of (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione
The XLogP value of 2.8972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione. The TPSA of 82.55 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-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 (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione?
The CAS number of (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione is 585559-20-2.
What is the molecular formula of (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione?
The molecular formula of (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione is C26H31N3O5.
What is the molecular weight of (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione?
The molecular weight of (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione is 465.23 g/mol.
Where can I buy (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione?
You can request a quote for (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.