![1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine structure](/static/products/4440/444079-42-9.webp)
1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine
TL;DR: 1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine (CAS 444079-42-9) is a chemical compound with molecular formula C28H33N5O4S and molecular weight 535.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine
Also Known As: 1-benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine, 1-[3-(4-benzylpiperazin-1-yl)-4-nitro-phenyl]-4-benzylsulfonyl-piperazine, 1-benzyl-4-{5-[4-(benzylsulfonyl)piperazin-1-yl]-2-nitrophenyl}piperazine, 1-[3-(4-BENZYLPIPERAZIN-1-YL)-4-NITROPHENYL]-4-PHENYLMETHANESULFONYLPIPERAZINE
| Molecular Formula | C28H33N5O4S |
|---|---|
| Molecular Weight | 535.23 g/mol |
| LogP | 3.569 |
| Topological Polar Surface Area | 90.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.22534 |
| Heavy Atoms | 38 |
| Complexity | 1338.1716 |
Chemical Identifiers
| CAS Number | 444079-42-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5)[N+](=O)[O-] |
Product Overview
1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine (CAS 444079-42-9), with molecular formula C28H33N5O4S and molecular weight 535.23 g/mol. IUPAC: 1-benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine.
Chemical Property Profile of 1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine
Property Insights of 1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine
The XLogP value of 3.569 indicates that 1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine. Following Lipinski's Rule of Five, 1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine?
The CAS number of 1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine is 444079-42-9.
What is the molecular formula of 1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine?
The molecular formula of 1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine is C28H33N5O4S.
What is the molecular weight of 1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine?
The molecular weight of 1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine is 535.23 g/mol.
Where can I buy 1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine?
You can request a quote for 1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.