5-(Dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide
TL;DR: 5-(Dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide (CAS 1024019-76-8) is a chemical compound with molecular formula C18H23FN2O3S and molecular weight 366.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dibutyl-λ4-sulfanylidene)-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-(dibutyl-, 5-(dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide, 5-(dibutylsulfaniumyl)-1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ide
| Molecular Formula | C18H23FN2O3S |
|---|---|
| Molecular Weight | 366.14 g/mol |
| LogP | 3.45 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.14133 |
| Heavy Atoms | 25 |
| Complexity | 690.77765 |
Chemical Identifiers
| CAS Number | 1024019-76-8 |
|---|---|
| SMILES | CCCCS(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)F)CCCC |
Product Overview
5-(Dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide (CAS 1024019-76-8), with molecular formula C18H23FN2O3S and molecular weight 366.14 g/mol. IUPAC: 5-(dibutyl-λ4-sulfanylidene)-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(Dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide
Property Insights of 5-(Dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide
The XLogP value of 3.45 indicates that 5-(Dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide. Following Lipinski's Rule of Five, 5-(Dibutylsulfonio)-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-(Dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide?
The CAS number of 5-(Dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide is 1024019-76-8.
What is the molecular formula of 5-(Dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide?
The molecular formula of 5-(Dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide is C18H23FN2O3S.
What is the molecular weight of 5-(Dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide?
The molecular weight of 5-(Dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide is 366.14 g/mol.
Where can I buy 5-(Dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide?
You can request a quote for 5-(Dibutylsulfonio)-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-(Dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide?
Yes, KEHONG BIO provides custom synthesis services for 5-(Dibutylsulfonio)-1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-ide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.