![3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one structure](/static/products/1784/178408-19-0.webp)
3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one
TL;DR: 3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one (CAS 178408-19-0) is a chemical compound with molecular formula C13H13FN2O2 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one
Also Known As: 3-(2-(4-Fluorophenyl)-2-oxoethylidene)-1-methylpiperazinone, 2-Piperazinone,3-[2-(4-fluorophenyl)-2-oxoethylidene]-1-methyl-, Piperazinone, 3-(2-(4-fluorophenyl)-2-oxoethylidene)-1-methyl-
| Molecular Formula | C13H13FN2O2 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 0.9539 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.0961 |
| Heavy Atoms | 18 |
| Complexity | 508.22745 |
Chemical Identifiers
| CAS Number | 178408-19-0 |
|---|---|
| SMILES | CN1CCNC(=CC(=O)C2=CC=C(C=C2)F)C1=O |
Product Overview
3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one (CAS 178408-19-0), with molecular formula C13H13FN2O2 and molecular weight 248.10 g/mol. IUPAC: 3-[2-(4-fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one.
Chemical Property Profile of 3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one
Property Insights of 3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one
The XLogP value of 0.9539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one. With a topological polar surface area (TPSA) of 49.41 Ų, 3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one has 1 hydrogen bond donor(s) and 3 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 3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one?
The CAS number of 3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one is 178408-19-0.
What is the molecular formula of 3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one?
The molecular formula of 3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one is C13H13FN2O2.
What is the molecular weight of 3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one?
The molecular weight of 3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one is 248.10 g/mol.
Where can I buy 3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one?
You can request a quote for 3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(4-Fluorophenyl)-2-oxoethylidene]-1-methylpiperazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.