![(5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/374/374104-85-5.png)
(5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
TL;DR: (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione (CAS 374104-85-5) is a chemical compound with molecular formula C25H23N3O6 and molecular weight 461.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-tert-butyl-5-{3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-methoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione, (E)-1-(tert-butyl)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C25H23N3O6 |
|---|---|
| Molecular Weight | 461.16 g/mol |
| LogP | 2.7517 |
| Topological Polar Surface Area | 113.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.1587 |
| Heavy Atoms | 34 |
| Complexity | 1252.7965 |
Chemical Identifiers
| CAS Number | 374104-85-5 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)/C(=C/C2=CC(=C(C=C2)OC)CN3C(=O)C4=CC=CC=C4C3=O)/C(=O)NC1=O |
Product Overview
(5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione (CAS 374104-85-5), with molecular formula C25H23N3O6 and molecular weight 461.16 g/mol. IUPAC: (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
Property Insights of (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 2.7517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 113.09 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione has 1 hydrogen bond donor(s) and 6 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 (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione is 374104-85-5.
What is the molecular formula of (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione is C25H23N3O6.
What is the molecular weight of (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione is 461.16 g/mol.
Where can I buy (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-tert-butyl-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.