2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro-
TL;DR: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro- (CAS 649-07-0) is a chemical compound with molecular formula C6H7FN2O3 and molecular weight 174.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione
Also Known As: 5-ethyl-5-fluorobarbituric acid, 5-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione, 5-fluoro-5-ethyl-2,4,6-pyrimidinetrione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro-, 5-Fluoro-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C6H7FN2O3 |
|---|---|
| Molecular Weight | 174.04 g/mol |
| LogP | -0.5293 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.04407 |
| Heavy Atoms | 12 |
| Complexity | 243.51881 |
Chemical Identifiers
| CAS Number | 649-07-0 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)F |
Product Overview
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro- (CAS 649-07-0), with molecular formula C6H7FN2O3 and molecular weight 174.04 g/mol. IUPAC: 5-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro-
Property Insights of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro-
The XLogP value of -0.5293 indicates that 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro-. Following Lipinski's Rule of Five, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro- has 2 hydrogen bond donor(s) and 3 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 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro-?
The CAS number of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro- is 649-07-0.
What is the molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro-?
The molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro- is C6H7FN2O3.
What is the molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro-?
The molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro- is 174.04 g/mol.
Where can I buy 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro-?
You can request a quote for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.