![Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]- structure](/static/products/899/89991-22-0.png)
Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]-
TL;DR: Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]- (CAS 89991-22-0) is a chemical compound with molecular formula C13H11ClN2OS and molecular weight 278.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-(6-methylpyrimidin-4-yl)sulfanylethanone
Also Known As: 5H-Pyrido[3,2-b]pyrrolizin-5-one, Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]-, 1-(4-chlorophenyl)-2-(6-methylpyrimidin-4-yl)sulfanylethanone, 1-(4-Chlorophenyl)-2-((6-methylpyrimidin-4-yl)thio)ethanone, 1-(4-chlorophenyl)-2-(6-methylpyrimidin-4-ylthio)ethan-1-one
| Molecular Formula | C13H11ClN2OS |
|---|---|
| Molecular Weight | 278.03 g/mol |
| LogP | 3.41342 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.02808 |
| Heavy Atoms | 18 |
| Complexity | 557.1726 |
Chemical Identifiers
| CAS Number | 89991-22-0 |
|---|---|
| SMILES | CC1=CC(=NC=N1)SCC(=O)C2=CC=C(C=C2)Cl |
Product Overview
Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]- (CAS 89991-22-0), with molecular formula C13H11ClN2OS and molecular weight 278.03 g/mol. IUPAC: 1-(4-chlorophenyl)-2-(6-methylpyrimidin-4-yl)sulfanylethanone.
Chemical Property Profile of Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]-
Property Insights of Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]-
The XLogP value of 3.41342 indicates that Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]- 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, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]-?
The CAS number of Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]- is 89991-22-0.
What is the molecular formula of Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]-?
The molecular formula of Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]- is C13H11ClN2OS.
What is the molecular weight of Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]-?
The molecular weight of Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]- is 278.03 g/mol.
Where can I buy Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]-?
You can request a quote for Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-chlorophenyl)-2-[(6-methyl-4-pyrimidinyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.