(Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 373376-44-4) is a chemical compound with molecular formula C28H18F3N3O6 and molecular weight 549.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
Also Known As: (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5Z)-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione, (5Z)-5-{3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-methoxybenzylidene}-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C28H18F3N3O6 |
|---|---|
| Molecular Weight | 549.11 g/mol |
| LogP | 4.1766 |
| Topological Polar Surface Area | 113.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 549.11475 |
| Heavy Atoms | 40 |
| Complexity | 1611.1736 |
Chemical Identifiers
| CAS Number | 373376-44-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F)CN4C(=O)C5=CC=CC=C5C4=O |
Product Overview
(Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 373376-44-4), with molecular formula C28H18F3N3O6 and molecular weight 549.11 g/mol. IUPAC: (5Z)-5-[[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 4.1766 indicates that (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.09 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 373376-44-4.
What is the molecular formula of (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C28H18F3N3O6.
What is the molecular weight of (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 549.11 g/mol.
Where can I buy (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)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 (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-(3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.