![(4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione structure](/static/products/847/847242-87-9.png)
(4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione
TL;DR: (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione (CAS 847242-87-9) is a chemical compound with molecular formula C29H33N3O6 and molecular weight 519.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione
Also Known As: (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione, 1-butyl-3'-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dione
| Molecular Formula | C29H33N3O6 |
|---|---|
| Molecular Weight | 519.24 g/mol |
| LogP | 3.1321 |
| Topological Polar Surface Area | 99.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 519.23694 |
| Heavy Atoms | 38 |
| Complexity | 1319.1417 |
Chemical Identifiers
| CAS Number | 847242-87-9 |
|---|---|
| SMILES | CCCCN1C2=CC=CC=C2C3(C1=O)/C(=C(/C4=CC5=C(C=C4)OCCO5)\O)/C(=O)C(=O)N3CCCN(C)C |
Product Overview
(4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione (CAS 847242-87-9), with molecular formula C29H33N3O6 and molecular weight 519.24 g/mol. IUPAC: (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione.
Chemical Property Profile of (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione
Property Insights of (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione
The XLogP value of 3.1321 indicates that (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione. Following Lipinski's Rule of Five, (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione?
The CAS number of (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione is 847242-87-9.
What is the molecular formula of (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione?
The molecular formula of (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione is C29H33N3O6.
What is the molecular weight of (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione?
The molecular weight of (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione is 519.24 g/mol.
Where can I buy (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione?
You can request a quote for (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione?
Yes, KEHONG BIO provides custom synthesis services for (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.