![1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one structure](/static/products/3337/333751-65-8.webp)
1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one
TL;DR: 1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one (CAS 333751-65-8) is a chemical compound with molecular formula C21H25FN2O3S and molecular weight 404.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]butan-1-one
Also Known As: BAS 02993905, 1-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]butan-1-one, 1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one, A2559/0109030, 1-(3-fluoro-4-{4-[(4-methylphenyl)sulfonyl]piperazinyl}phenyl)butan-1-one
| Molecular Formula | C21H25FN2O3S |
|---|---|
| Molecular Weight | 404.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.15698 |
| Heavy Atoms | 28 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 333751-65-8 |
|---|---|
| SMILES | CCCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)F |
| InChIKey | FKHYKZVXCQQVNC-UHFFFAOYSA-N |
Product Overview
1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one (CAS 333751-65-8), with molecular formula C21H25FN2O3S and molecular weight 404.16 g/mol. IUPAC: 1-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]butan-1-one.
Chemical Property Profile of 1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one
Property Insights of 1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one
The XLogP value of 3.6 indicates that 1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one. Following Lipinski's Rule of Five, 1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one has 0 hydrogen bond donor(s) and 6 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-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one?
The CAS number of 1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one is 333751-65-8.
What is the molecular formula of 1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one?
The molecular formula of 1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one is C21H25FN2O3S.
What is the molecular weight of 1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one?
The molecular weight of 1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one is 404.16 g/mol.
Where can I buy 1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one?
You can request a quote for 1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-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-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.