4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine
TL;DR: 4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine (CAS 330177-53-2) is a chemical compound with molecular formula C12H16N4O6S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dinitrophenyl)-2-methyl-1-methylsulfonylpiperazine
Also Known As: 4-(2,4-dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine, A2343/0098948, 4-(2,4-dinitrophenyl)-2-methyl-1-methylsulfonylpiperazine
| Molecular Formula | C12H16N4O6S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 0.9731 |
| Topological Polar Surface Area | 126.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.07904 |
| Heavy Atoms | 23 |
| Complexity | 749.91785 |
Chemical Identifiers
| CAS Number | 330177-53-2 |
|---|---|
| SMILES | CC1CN(CCN1S(=O)(=O)C)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine (CAS 330177-53-2), with molecular formula C12H16N4O6S and molecular weight 344.08 g/mol. IUPAC: 4-(2,4-dinitrophenyl)-2-methyl-1-methylsulfonylpiperazine.
Chemical Property Profile of 4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine
Property Insights of 4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine
The XLogP value of 0.9731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine. The TPSA of 126.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine. Following Lipinski's Rule of Five, 4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine has 0 hydrogen bond donor(s) and 7 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 4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine?
The CAS number of 4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine is 330177-53-2.
What is the molecular formula of 4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine?
The molecular formula of 4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine is C12H16N4O6S.
What is the molecular weight of 4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine?
The molecular weight of 4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine is 344.08 g/mol.
Where can I buy 4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine?
You can request a quote for 4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-Dinitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.