(4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
TL;DR: (4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (CAS 333757-06-5) is a chemical compound with molecular formula C12H15FN2O3S and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
Also Known As: BAS 03050056, BIM-0001178.P001, (4-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone, 4-fluorophenyl 4-(methylsulfonyl)piperazinyl ketone, (4-fluorophenyl)[4-(methylsulfonyl)piperazin-1-yl]methanone
| Molecular Formula | C12H15FN2O3S |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.07874 |
| Heavy Atoms | 19 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 333757-06-5 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)F |
| InChIKey | ABDASEZLFGMYKP-UHFFFAOYSA-N |
Product Overview
(4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (CAS 333757-06-5), with molecular formula C12H15FN2O3S and molecular weight 286.08 g/mol. IUPAC: (4-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone.
Chemical Property Profile of (4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
Property Insights of (4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone. Following Lipinski's Rule of Five, (4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone has 0 hydrogen bond donor(s) and 5 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 (4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The CAS number of (4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone is 333757-06-5.
What is the molecular formula of (4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The molecular formula of (4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone is C12H15FN2O3S.
What is the molecular weight of (4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The molecular weight of (4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone is 286.08 g/mol.
Where can I buy (4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
You can request a quote for (4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.