1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine
TL;DR: 1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine (CAS 333757-11-2) 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.
(3-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
Also Known As: 1-(3-fluorobenzoyl)-4-(methylsulfonyl)piperazine, BAS 03050061, AT-057/41808492, (3-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone, 3-fluorophenyl 4-(methylsulfonyl)piperazinyl ketone
| 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 | 427.0 |
Chemical Identifiers
| CAS Number | 333757-11-2 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)F |
| InChIKey | FFZGWRQVRQWYIY-UHFFFAOYSA-N |
Product Overview
1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine (CAS 333757-11-2), with molecular formula C12H15FN2O3S and molecular weight 286.08 g/mol. IUPAC: (3-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone.
Chemical Property Profile of 1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine
Property Insights of 1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine. Following Lipinski's Rule of Five, 1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine 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 1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine?
The CAS number of 1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine is 333757-11-2.
What is the molecular formula of 1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine?
The molecular formula of 1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine is C12H15FN2O3S.
What is the molecular weight of 1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine?
The molecular weight of 1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine is 286.08 g/mol.
Where can I buy 1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine?
You can request a quote for 1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Fluorobenzoyl)-4-(methylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.