5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide
TL;DR: 5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide (CAS 1024018-99-2) is a chemical compound with molecular formula C14H15FN2O3S and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(diethyl-λ4-sulfanylidene)-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-(diethyl-, 5-(diethylsulfaniumyl)-1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ide, 5-(diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide
| Molecular Formula | C14H15FN2O3S |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 1.8896 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.07874 |
| Heavy Atoms | 21 |
| Complexity | 634.12415 |
Chemical Identifiers
| CAS Number | 1024018-99-2 |
|---|---|
| SMILES | CCS(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)F)CC |
Product Overview
5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide (CAS 1024018-99-2), with molecular formula C14H15FN2O3S and molecular weight 310.08 g/mol. IUPAC: 5-(diethyl-λ4-sulfanylidene)-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide
Property Insights of 5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide
The XLogP value of 1.8896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide. Following Lipinski's Rule of Five, 5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide has 1 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 5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide?
The CAS number of 5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide is 1024018-99-2.
What is the molecular formula of 5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide?
The molecular formula of 5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide is C14H15FN2O3S.
What is the molecular weight of 5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide?
The molecular weight of 5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide is 310.08 g/mol.
Where can I buy 5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide?
You can request a quote for 5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide?
Yes, KEHONG BIO provides custom synthesis services for 5-(Diethylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.