![Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl- structure](/static/products/899/89991-26-4.png)
Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl-
TL;DR: Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl- (CAS 89991-26-4) is a chemical compound with molecular formula C13H12N2OS and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-methylpyrimidin-4-yl)sulfanyl-1-phenylethanone
Also Known As: 2-((6-Methylpyrimidin-4-yl)thio)-1-phenylethanone, Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl-, 2-(6-methylpyrimidin-4-yl)sulfanyl-1-phenylethanone, 2-[(6-Methylpyrimidin-4-yl)sulfanyl]-1-phenylethan-1-one
| Molecular Formula | C13H12N2OS |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 2.76002 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.06703 |
| Heavy Atoms | 17 |
| Complexity | 513.8377 |
Chemical Identifiers
| CAS Number | 89991-26-4 |
|---|---|
| SMILES | CC1=CC(=NC=N1)SCC(=O)C2=CC=CC=C2 |
Product Overview
Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl- (CAS 89991-26-4), with molecular formula C13H12N2OS and molecular weight 244.07 g/mol. IUPAC: 2-(6-methylpyrimidin-4-yl)sulfanyl-1-phenylethanone.
Chemical Property Profile of Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl-
Property Insights of Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl-
The XLogP value of 2.76002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl-. With a topological polar surface area (TPSA) of 42.85 Ų, Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl- has 0 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 Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl-?
The CAS number of Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl- is 89991-26-4.
What is the molecular formula of Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl-?
The molecular formula of Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl- is C13H12N2OS.
What is the molecular weight of Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl-?
The molecular weight of Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl- is 244.07 g/mol.
Where can I buy Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl-?
You can request a quote for Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.