1-(2-Chloro-4-nitrophenyl)-4-methylsulfonylpiperazine
TL;DR: 1-(2-Chloro-4-nitrophenyl)-4-methylsulfonylpiperazine (CAS 312269-66-2) is a chemical compound with molecular formula C11H14ClN3O4S and molecular weight 319.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-4-nitrophenyl)-4-methylsulfonylpiperazine
Also Known As: BAS 00459545, BIM-0026092.P001, 1-(2-chloro-4-nitrophenyl)-4-methylsulfonylpiperazine, 1-(2-chloro-4-nitrophenyl)-4-(methylsulfonyl)piperazine, 1-(2-chloro-4-nitrophenyl)-4-methanesulfonylpiperazine
| Molecular Formula | C11H14ClN3O4S |
|---|---|
| Molecular Weight | 319.04 g/mol |
| LogP | 1.3298 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.03937 |
| Heavy Atoms | 20 |
| Complexity | 626.5554 |
Chemical Identifiers
| CAS Number | 312269-66-2 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
1-(2-Chloro-4-nitrophenyl)-4-methylsulfonylpiperazine (CAS 312269-66-2), with molecular formula C11H14ClN3O4S and molecular weight 319.04 g/mol. IUPAC: 1-(2-chloro-4-nitrophenyl)-4-methylsulfonylpiperazine.
Chemical Property Profile of 1-(2-Chloro-4-nitrophenyl)-4-methylsulfonylpiperazine
Property Insights of 1-(2-Chloro-4-nitrophenyl)-4-methylsulfonylpiperazine
The XLogP value of 1.3298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloro-4-nitrophenyl)-4-methylsulfonylpiperazine. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloro-4-nitrophenyl)-4-methylsulfonylpiperazine. Following Lipinski's Rule of Five, 1-(2-Chloro-4-nitrophenyl)-4-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 1-(2-Chloro-4-nitrophenyl)-4-methylsulfonylpiperazine?
The CAS number of 1-(2-Chloro-4-nitrophenyl)-4-methylsulfonylpiperazine is 312269-66-2.
What is the molecular formula of 1-(2-Chloro-4-nitrophenyl)-4-methylsulfonylpiperazine?
The molecular formula of 1-(2-Chloro-4-nitrophenyl)-4-methylsulfonylpiperazine is C11H14ClN3O4S.
What is the molecular weight of 1-(2-Chloro-4-nitrophenyl)-4-methylsulfonylpiperazine?
The molecular weight of 1-(2-Chloro-4-nitrophenyl)-4-methylsulfonylpiperazine is 319.04 g/mol.
Where can I buy 1-(2-Chloro-4-nitrophenyl)-4-methylsulfonylpiperazine?
You can request a quote for 1-(2-Chloro-4-nitrophenyl)-4-methylsulfonylpiperazine 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-nitrophenyl)-4-methylsulfonylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-4-nitrophenyl)-4-methylsulfonylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.