![5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione structure](/static/products/428/428832-56-8.png)
5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 428832-56-8) is a chemical compound with molecular formula C20H19N3O5 and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-((1-(benzo[d][1,3]dioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H19N3O5 |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 2.25664 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.13248 |
| Heavy Atoms | 28 |
| Complexity | 1040.0337 |
Chemical Identifiers
| CAS Number | 428832-56-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C4C(=O)N(C(=O)N(C4=O)C)C |
Product Overview
5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 428832-56-8), with molecular formula C20H19N3O5 and molecular weight 381.13 g/mol. IUPAC: 5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 2.25664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione has 0 hydrogen bond donor(s) and 5 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 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione is 428832-56-8.
What is the molecular formula of 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione is C20H19N3O5.
What is the molecular weight of 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione is 381.13 g/mol.
Where can I buy 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.