1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine
TL;DR: 1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine (CAS 613657-40-2) is a chemical compound with molecular formula C11H14ClFN2O2S and molecular weight 292.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperazine
Also Known As: 1-(3-chloro-4-fluorophenylsulfonyl)-4-methylpiperazine, 1-((3-Chloro-4-fluorophenyl)sulfonyl)-4-methylpiperazine, 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperazine, 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-methyl-piperazine, 2-chloro-1-fluoro-4-[(4-methylpiperazinyl)sulfonyl]benzene
| Molecular Formula | C11H14ClFN2O2S |
|---|---|
| Molecular Weight | 292.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.04486 |
| Heavy Atoms | 18 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 613657-40-2 |
|---|---|
| SMILES | CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl |
| InChIKey | ULOCGBQHDMCQDX-UHFFFAOYSA-N |
Product Overview
1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine (CAS 613657-40-2), with molecular formula C11H14ClFN2O2S and molecular weight 292.04 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperazine.
Chemical Property Profile of 1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine
Property Insights of 1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine. With a topological polar surface area (TPSA) of 49.0 Ų, 1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine 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-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine?
The CAS number of 1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine is 613657-40-2.
What is the molecular formula of 1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine?
The molecular formula of 1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine is C11H14ClFN2O2S.
What is the molecular weight of 1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine?
The molecular weight of 1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine is 292.04 g/mol.
Where can I buy 1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine?
You can request a quote for 1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-fluorophenylsulfonyl)-4-methylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.