2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine
TL;DR: 2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine (CAS 5669-65-8) is a chemical compound with molecular formula C12H17N3O4S and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-methylsulfonyl-4-(4-nitrophenyl)piperazine
Also Known As: BIM-0027502.P001, 2-methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine, 2-methyl-1-methylsulfonyl-4-(4-nitrophenyl)piperazine, 1-(Methanesulfonyl)-2-methyl-4-(4-nitrophenyl)piperazine, 1-METHANESULFONYL-2-METHYL-4-(4-NITROPHENYL)PIPERAZINE
| Molecular Formula | C12H17N3O4S |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 1.0649 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.09396 |
| Heavy Atoms | 20 |
| Complexity | 599.63336 |
Chemical Identifiers
| CAS Number | 5669-65-8 |
|---|---|
| SMILES | CC1CN(CCN1S(=O)(=O)C)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine (CAS 5669-65-8), with molecular formula C12H17N3O4S and molecular weight 299.09 g/mol. IUPAC: 2-methyl-1-methylsulfonyl-4-(4-nitrophenyl)piperazine.
Chemical Property Profile of 2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine
Property Insights of 2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine
The XLogP value of 1.0649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine. Following Lipinski's Rule of Five, 2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)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 2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine?
The CAS number of 2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine is 5669-65-8.
What is the molecular formula of 2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine?
The molecular formula of 2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine is C12H17N3O4S.
What is the molecular weight of 2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine?
The molecular weight of 2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine is 299.09 g/mol.
Where can I buy 2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine?
You can request a quote for 2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-(methylsulfonyl)-4-(4-nitrophenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.