![1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione structure](/static/products/3214/321430-64-2.webp)
1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 321430-64-2) is a chemical compound with molecular formula C17H16N2O4 and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[[4-(3-oxobut-1-enyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione, 1,3-dimethyl-5-[[4-(3-oxobut-1-enyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C17H16N2O4 |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 1.7226 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.111 |
| Heavy Atoms | 23 |
| Complexity | 718.3618 |
Chemical Identifiers
| CAS Number | 321430-64-2 |
|---|---|
| SMILES | CC(=O)C=CC1=CC=C(C=C1)C=C2C(=O)N(C(=O)N(C2=O)C)C |
Product Overview
1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 321430-64-2), with molecular formula C17H16N2O4 and molecular weight 312.11 g/mol. IUPAC: 1,3-dimethyl-5-[[4-(3-oxobut-1-enyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 1.7226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione has 0 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 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione is 321430-64-2.
What is the molecular formula of 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione is C17H16N2O4.
What is the molecular weight of 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione is 312.11 g/mol.
Where can I buy 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-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 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-5-{[4-(3-oxo-1-butenyl)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.