1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one
TL;DR: 1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one (CAS 899987-57-6) is a chemical compound with molecular formula C18H12ClFN2O2S and molecular weight 374.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one
Also Known As: 1-(3-chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one, F2696-0361, 1-(3-chloro-4-fluorophenyl)-3-[(2-oxo-2-phenylethyl)sulfanyl]-1,2-dihydropyrazin-2-one, 1-(3-chloro-4-fluorophenyl)-3-((2-oxo-2-phenylethyl)thio)pyrazin-2(1H)-one
| Molecular Formula | C18H12ClFN2O2S |
|---|---|
| Molecular Weight | 374.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.0292 |
| Heavy Atoms | 25 |
| Complexity | 976.3101 |
Chemical Identifiers
| CAS Number | 899987-57-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NC=CN(C2=O)C3=CC(=C(C=C3)F)Cl |
Product Overview
1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one (CAS 899987-57-6), with molecular formula C18H12ClFN2O2S and molecular weight 374.03 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one.
Chemical Property Profile of 1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one
Property Insights of 1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one
The XLogP value of 4.0 indicates that 1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, 1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one 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 1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one?
The CAS number of 1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one is 899987-57-6.
What is the molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one?
The molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one is C18H12ClFN2O2S.
What is the molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one?
The molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one is 374.03 g/mol.
Where can I buy 1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one?
You can request a quote for 1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-fluorophenyl)-3-phenacylsulfanylpyrazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.