1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine
TL;DR: 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine (CAS 681844-34-8) is a chemical compound with molecular formula C18H20ClN3O4S and molecular weight 409.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-methylphenyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
Also Known As: UPCMLD0ENAT5952846:001, 1-(3-chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine, A2901/0122229, 1-(3-chloro-4-methylphenyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine, 1-(3-chloro-4-methylphenyl)-4-[(2-methyl-5-nitrophenyl)sulfonyl]piperazine
| Molecular Formula | C18H20ClN3O4S |
|---|---|
| Molecular Weight | 409.09 g/mol |
| LogP | 3.37594 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.0863 |
| Heavy Atoms | 27 |
| Complexity | 986.09644 |
Chemical Identifiers
| CAS Number | 681844-34-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)C)Cl |
Product Overview
1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine (CAS 681844-34-8), with molecular formula C18H20ClN3O4S and molecular weight 409.09 g/mol. IUPAC: 1-(3-chloro-4-methylphenyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine.
Chemical Property Profile of 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine
Property Insights of 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine
The XLogP value of 3.37594 indicates that 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine. Following Lipinski's Rule of Five, 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)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 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine?
The CAS number of 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine is 681844-34-8.
What is the molecular formula of 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine?
The molecular formula of 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine is C18H20ClN3O4S.
What is the molecular weight of 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine?
The molecular weight of 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine is 409.09 g/mol.
Where can I buy 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine?
You can request a quote for 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-nitrobenzenesulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.