4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine
TL;DR: 4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine (CAS 330177-58-7) is a chemical compound with molecular formula C12H16ClN3O4S and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine
Also Known As: BIM-0005146.P001, 4-(2-chloro-6-nitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine, 4-(2-chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine, 4-(6-chloro-2-nitrophenyl)-2-methyl-1-(methylsulfonyl)piperazine, 4-(2-CHLORO-6-NITROPHENYL)-1-METHANESULFONYL-2-METHYLPIPERAZINE
| Molecular Formula | C12H16ClN3O4S |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 1.7183 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.055 |
| Heavy Atoms | 21 |
| Complexity | 664.46643 |
Chemical Identifiers
| CAS Number | 330177-58-7 |
|---|---|
| SMILES | CC1CN(CCN1S(=O)(=O)C)C2=C(C=CC=C2Cl)[N+](=O)[O-] |
Product Overview
4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine (CAS 330177-58-7), with molecular formula C12H16ClN3O4S and molecular weight 333.06 g/mol. IUPAC: 4-(2-chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine.
Chemical Property Profile of 4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine
Property Insights of 4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine
The XLogP value of 1.7183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine. Following Lipinski's Rule of Five, 4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine 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 4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine?
The CAS number of 4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine is 330177-58-7.
What is the molecular formula of 4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine?
The molecular formula of 4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine is C12H16ClN3O4S.
What is the molecular weight of 4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine?
The molecular weight of 4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine is 333.06 g/mol.
Where can I buy 4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine?
You can request a quote for 4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chloro-6-nitrophenyl)-2-methyl-1-methylsulfonylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.