4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one
TL;DR: 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one (CAS 898441-47-9) is a chemical compound with molecular formula C13H11ClN2O2S and molecular weight 294.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one
Also Known As: AB00679921-01, F2585-0243, 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one, 4-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one, 4-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-1,2-dihydropyrimidin-2-one
| Molecular Formula | C13H11ClN2O2S |
|---|---|
| Molecular Weight | 294.02 g/mol |
| LogP | 2.70672 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.02298 |
| Heavy Atoms | 19 |
| Complexity | 652.4379 |
Chemical Identifiers
| CAS Number | 898441-47-9 |
|---|---|
| SMILES | CC1=CC(=NC(=O)N1)SCC(=O)C2=CC=C(C=C2)Cl |
Product Overview
4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one (CAS 898441-47-9), with molecular formula C13H11ClN2O2S and molecular weight 294.02 g/mol. IUPAC: 4-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one.
Chemical Property Profile of 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one
Property Insights of 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one
The XLogP value of 2.70672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one. The TPSA of 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one has 1 hydrogen bond donor(s) and 4 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 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one?
The CAS number of 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one is 898441-47-9.
What is the molecular formula of 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one?
The molecular formula of 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one is C13H11ClN2O2S.
What is the molecular weight of 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one?
The molecular weight of 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one is 294.02 g/mol.
Where can I buy 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one?
You can request a quote for 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-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 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-methylpyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.