6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one
TL;DR: 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one (CAS 898421-51-7) is a chemical compound with molecular formula C13H11N3O4S and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-4-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-2-one
Also Known As: F2585-0219, 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one, 6-methyl-4-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-2-one, 6-methyl-4-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-1,2-dihydropyrimidin-2-one
| Molecular Formula | C13H11N3O4S |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 1.96152 |
| Topological Polar Surface Area | 105.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.04703 |
| Heavy Atoms | 21 |
| Complexity | 739.8267 |
Chemical Identifiers
| CAS Number | 898421-51-7 |
|---|---|
| SMILES | CC1=CC(=NC(=O)N1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one (CAS 898421-51-7), with molecular formula C13H11N3O4S and molecular weight 305.05 g/mol. IUPAC: 6-methyl-4-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-2-one.
Chemical Property Profile of 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one
Property Insights of 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one
The XLogP value of 1.96152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one. The TPSA of 105.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one has 1 hydrogen bond donor(s) and 6 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 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one?
The CAS number of 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one is 898421-51-7.
What is the molecular formula of 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one?
The molecular formula of 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one is C13H11N3O4S.
What is the molecular weight of 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one?
The molecular weight of 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one is 305.05 g/mol.
Where can I buy 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one?
You can request a quote for 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-4-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.