(E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 714926-52-0) is a chemical compound with molecular formula C29H23N3O7 and molecular weight 525.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-benzyl-5-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-benzyl-5-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione, 2-{5-[(E)-(1-benzyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]-2,4-dimethoxybenzyl}-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C29H23N3O7 |
|---|---|
| Molecular Weight | 525.15 g/mol |
| LogP | 3.162 |
| Topological Polar Surface Area | 122.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.1536 |
| Heavy Atoms | 39 |
| Complexity | 1527.3008 |
Chemical Identifiers
| CAS Number | 714926-52-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1CN2C(=O)C3=CC=CC=C3C2=O)/C=C/4\C(=O)NC(=O)N(C4=O)CC5=CC=CC=C5)OC |
Product Overview
(E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 714926-52-0), with molecular formula C29H23N3O7 and molecular weight 525.15 g/mol. IUPAC: (5E)-1-benzyl-5-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.162 indicates that (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-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 (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 714926-52-0.
What is the molecular formula of (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C29H23N3O7.
What is the molecular weight of (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 525.15 g/mol.
Where can I buy (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-benzyl-5-(5-((1,3-dioxoisoindolin-2-yl)methyl)-2,4-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.