6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one
TL;DR: 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one (CAS 898445-57-3) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one
Also Known As: SDCCGMLS-0065694.P001, 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one, 6-methyl-4-((2-oxo-2-phenylethyl)thio)pyrimidin-2(1H)-one, AB00679905-01, F2585-0196
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 2.05332 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 607.88837 |
Chemical Identifiers
| CAS Number | 898445-57-3 |
|---|---|
| SMILES | CC1=CC(=NC(=O)N1)SCC(=O)C2=CC=CC=C2 |
Product Overview
6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one (CAS 898445-57-3), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one.
Chemical Property Profile of 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one
Property Insights of 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one
The XLogP value of 2.05332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one. The TPSA of 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one. Following Lipinski's Rule of Five, 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-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 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one?
The CAS number of 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one is 898445-57-3.
What is the molecular formula of 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one?
The molecular formula of 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one is C13H12N2O2S.
What is the molecular weight of 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one?
The molecular weight of 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one is 260.06 g/mol.
Where can I buy 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one?
You can request a quote for 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-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-phenacylsulfanyl-1H-pyrimidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-4-phenacylsulfanyl-1H-pyrimidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.