5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one
TL;DR: 5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one (CAS 139057-01-5) is a chemical compound with molecular formula C15H16N2O2S and molecular weight 288.09326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one
Also Known As: 5-acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one, AF-960/00451050, 5-acetyl-4-(ethylsulfanyl)-6-methyl-1-phenyl-2(1H)-pyrimidinone, 5-acetyl-4-(ethylsulfanyl)-6-methyl-1-phenylpyrimidin-2(1H)-one
Technical Specifications
| Molecular Formula | C15H16N2O2S |
| Molecular Weight | 288.09326 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 75.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.09326 Da |
| Heavy Atoms | 20 |
| Complexity | 476.0 |
| SMILES | CCSC1=NC(=O)N(C(=C1C(=O)C)C)C2=CC=CC=C2 |
| InChIKey | CQZJGXRLCJFNEB-UHFFFAOYSA-N |
Chemical Property Profile of 5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one
Property Insights of 5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one. Following Lipinski's Rule of Five, 5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one?
The CAS number of 5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one is 139057-01-5.
What is the molecular formula of 5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one?
The molecular formula of 5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one is C15H16N2O2S.
What is the molecular weight of 5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one?
The molecular weight of 5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one is 288.09326 g/mol.
Where can I buy 5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one?
You can request a quote for 5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one?
Yes, CoreyChem provides custom synthesis services for 5-Acetyl-4-ethylsulfanyl-6-methyl-1-phenylpyrimidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.