(4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone
TL;DR: (4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone (CAS 428843-27-0) is a chemical compound with molecular formula C13H17FN2O3S and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone
Also Known As: BAS 03152917, 4-(ethylsulfonyl)piperazinyl 4-fluorophenyl ketone, (4-ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone, [4-(ethylsulfonyl)piperazin-1-yl](4-fluorophenyl)methanone, (4-Ethanesulfonyl-piperazin-1-yl)-(4-fluoro-phenyl)-methanone
| Molecular Formula | C13H17FN2O3S |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.0944 |
| Heavy Atoms | 20 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 428843-27-0 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)F |
| InChIKey | AQTZIMLAUBWICR-UHFFFAOYSA-N |
Product Overview
(4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone (CAS 428843-27-0), with molecular formula C13H17FN2O3S and molecular weight 300.09 g/mol. IUPAC: (4-ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone.
Chemical Property Profile of (4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone
Property Insights of (4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone. Following Lipinski's Rule of Five, (4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)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-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone?
The CAS number of (4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone is 428843-27-0.
What is the molecular formula of (4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone?
The molecular formula of (4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone is C13H17FN2O3S.
What is the molecular weight of (4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone?
The molecular weight of (4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone is 300.09 g/mol.
Where can I buy (4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone?
You can request a quote for (4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.