![1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine structure](/static/products/849/849035-65-0.png)
1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine
TL;DR: 1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine (CAS 849035-65-0) 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-(2-chloro-4-methyl-5-methylsulfonylphenyl)piperazine
Also Known As: 1-[2-chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine, 0576AF, 1-(2-chloro-4-methyl-5-methylsulfonylphenyl)piperazine, 1-(2-chloro-5-methanesulfonyl-4-methylphenyl)piperazine, 1-[2-(chloro-4-methyl-5-(methylsulphonyl)phenyl]piperazine
| Molecular Formula | C12H17ClN2O2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 1.46152 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.06992 |
| Heavy Atoms | 18 |
| Complexity | 551.441 |
Chemical Identifiers
| CAS Number | 849035-65-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)C)N2CCNCC2)Cl |
Product Overview
1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine (CAS 849035-65-0), with molecular formula C12H17ClN2O2S and molecular weight 288.07 g/mol. IUPAC: 1-(2-chloro-4-methyl-5-methylsulfonylphenyl)piperazine.
Chemical Property Profile of 1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine
Property Insights of 1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine
The XLogP value of 1.46152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine. With a topological polar surface area (TPSA) of 49.41 Ų, 1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine has 1 hydrogen bond donor(s) and 4 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-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine?
The CAS number of 1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine is 849035-65-0.
What is the molecular formula of 1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine?
The molecular formula of 1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine is C12H17ClN2O2S.
What is the molecular weight of 1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine?
The molecular weight of 1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine is 288.07 g/mol.
Where can I buy 1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine?
You can request a quote for 1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.