5-(Dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide
TL;DR: 5-(Dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide (CAS 474262-47-0) is a chemical compound with molecular formula C13H13FN2O3S and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dimethyl-λ4-sulfanylidene)-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione
Also Known As: 5-(dimethyl-, SDCCGMLS-0065234.P001, 5-(dimethylsulfaniumyl)-1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ide, 5-(dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide, 5-(dimethylsulfonio)-1-(4-fluorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinolate
| Molecular Formula | C13H13FN2O3S |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 1.105 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.06308 |
| Heavy Atoms | 20 |
| Complexity | 621.00836 |
Chemical Identifiers
| CAS Number | 474262-47-0 |
|---|---|
| SMILES | CS(=C1C(=O)NC(=O)N(C1=O)CC2=CC=C(C=C2)F)C |
Product Overview
5-(Dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide (CAS 474262-47-0), with molecular formula C13H13FN2O3S and molecular weight 296.06 g/mol. IUPAC: 5-(dimethyl-λ4-sulfanylidene)-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(Dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide
Property Insights of 5-(Dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide
The XLogP value of 1.105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide. Following Lipinski's Rule of Five, 5-(Dimethylsulfonio)-1-(4-fluorobenzyl)-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-(Dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide?
The CAS number of 5-(Dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide is 474262-47-0.
What is the molecular formula of 5-(Dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide?
The molecular formula of 5-(Dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide is C13H13FN2O3S.
What is the molecular weight of 5-(Dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide?
The molecular weight of 5-(Dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide is 296.06 g/mol.
Where can I buy 5-(Dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide?
You can request a quote for 5-(Dimethylsulfonio)-1-(4-fluorobenzyl)-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-(Dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide?
Yes, KEHONG BIO provides custom synthesis services for 5-(Dimethylsulfonio)-1-(4-fluorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-ide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.