![(3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione structure](/static/products/844/844464-10-4.png)
(3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione
TL;DR: (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione (CAS 844464-10-4) is a chemical compound with molecular formula C28H30N2O7 and molecular weight 506.21 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-methoxypropyl)spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione
Also Known As: (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione, (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione, 1-butyl-3'-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-4'-hydroxy-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dione, 1-butyl-3'-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4'-hydroxy-1'-(3-methoxypropyl)spiro[indoline-3,2'-pyrrole]-2,5'(1'H)-dione
| Molecular Formula | C28H30N2O7 |
|---|---|
| Molecular Weight | 506.21 g/mol |
| LogP | 3.2169 |
| Topological Polar Surface Area | 105.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.2053 |
| Heavy Atoms | 37 |
| Complexity | 1287.0419 |
Chemical Identifiers
| CAS Number | 844464-10-4 |
|---|---|
| SMILES | CCCCN1C2=CC=CC=C2C3(C1=O)/C(=C(/C4=CC5=C(C=C4)OCCO5)\O)/C(=O)C(=O)N3CCCOC |
Product Overview
(3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione (CAS 844464-10-4), with molecular formula C28H30N2O7 and molecular weight 506.21 g/mol. IUPAC: (4'E)-1-butyl-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione.
Chemical Property Profile of (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione
Property Insights of (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione
The XLogP value of 3.2169 indicates that (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.61 Ų falls within the moderate polarity range, balancing permeability and solubility for (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione. Following Lipinski's Rule of Five, (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-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 (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione?
The CAS number of (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione is 844464-10-4.
What is the molecular formula of (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione?
The molecular formula of (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione is C28H30N2O7.
What is the molecular weight of (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione?
The molecular weight of (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione is 506.21 g/mol.
Where can I buy (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione?
You can request a quote for (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.