(E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 537020-67-0) is a chemical compound with molecular formula C23H19N3O4 and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(1-acetylindol-3-yl)methylidene]-1-(2,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: (E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[(1-acetyl-1H-indol-3-yl)methylidene]-3-(2,5-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione, (5E)-5-[(1-acetylindol-3-yl)methylidene]-1-(2,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C23H19N3O4 |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 3.58464 |
| Topological Polar Surface Area | 88.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.13754 |
| Heavy Atoms | 30 |
| Complexity | 1282.8402 |
Chemical Identifiers
| CAS Number | 537020-67-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)C(=O)C)/C(=O)NC2=O |
Product Overview
(E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 537020-67-0), with molecular formula C23H19N3O4 and molecular weight 401.14 g/mol. IUPAC: (5E)-5-[(1-acetylindol-3-yl)methylidene]-1-(2,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.58464 indicates that (E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione has 1 hydrogen bond donor(s) and 4 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 (E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 537020-67-0.
What is the molecular formula of (E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C23H19N3O4.
What is the molecular weight of (E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 401.14 g/mol.
Where can I buy (E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)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)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-((1-acetyl-1H-indol-3-yl)methylene)-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.