1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine
TL;DR: 1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine (CAS 457961-49-8) is a chemical compound with molecular formula C12H17ClN2O3S and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-methylpiperazine
Also Known As: BAS 02106759, 1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine, 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-methylpiperazine, 1-[(4-chloro-3-methoxyphenyl)sulfonyl]-4-methylpiperazine, 1-chloro-2-methoxy-4-[(4-methylpiperazinyl)sulfonyl]benzene
| Molecular Formula | C12H17ClN2O3S |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.06485 |
| Heavy Atoms | 19 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 457961-49-8 |
|---|---|
| SMILES | CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)OC |
| InChIKey | MMEWHKIYJKRKAX-UHFFFAOYSA-N |
Product Overview
1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine (CAS 457961-49-8), with molecular formula C12H17ClN2O3S and molecular weight 304.06 g/mol. IUPAC: 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-methylpiperazine.
Chemical Property Profile of 1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine
Property Insights of 1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine. With a topological polar surface area (TPSA) of 58.2 Ų, 1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-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-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine?
The CAS number of 1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine is 457961-49-8.
What is the molecular formula of 1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine?
The molecular formula of 1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine is C12H17ClN2O3S.
What is the molecular weight of 1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine?
The molecular weight of 1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine is 304.06 g/mol.
Where can I buy 1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine?
You can request a quote for 1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.