1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine
TL;DR: 1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine (CAS 644957-86-8) is a chemical compound with molecular formula C12H17ClN2O2S and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
Also Known As: BAS 06741210, 1-(5-chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine, 1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine, AH-487/42142718, 1-(5-Chloro-2-methyl-phenyl)-4-methanesulfonyl-piperazine
| Molecular Formula | C12H17ClN2O2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 1.73002 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.06992 |
| Heavy Atoms | 18 |
| Complexity | 537.0084 |
Chemical Identifiers
| CAS Number | 644957-86-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C |
Product Overview
1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine (CAS 644957-86-8), with molecular formula C12H17ClN2O2S and molecular weight 288.07 g/mol. IUPAC: 1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine.
Chemical Property Profile of 1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine
Property Insights of 1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine
The XLogP value of 1.73002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine. With a topological polar surface area (TPSA) of 40.62 Ų, 1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine has 0 hydrogen bond donor(s) and 3 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-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine?
The CAS number of 1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine is 644957-86-8.
What is the molecular formula of 1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine?
The molecular formula of 1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine is C12H17ClN2O2S.
What is the molecular weight of 1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine?
The molecular weight of 1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine is 288.07 g/mol.
Where can I buy 1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine?
You can request a quote for 1-(5-Chloro-2-methylphenyl)-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-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.