1-(3-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine
TL;DR: 1-(3-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine (CAS 874604-75-8) is a chemical compound with molecular formula C17H18N4O4S and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitro-2-pyridinyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
Also Known As: 1-(3-nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine, 1-(3-nitropyridin-2-yl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine, 1-(3-nitropyridin-2-yl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazine
| Molecular Formula | C17H18N4O4S |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 2.1125 |
| Topological Polar Surface Area | 96.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.1049 |
| Heavy Atoms | 26 |
| Complexity | 907.36993 |
Chemical Identifiers
| CAS Number | 874604-75-8 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=CC=N2)[N+](=O)[O-])S(=O)(=O)/C=C/C3=CC=CC=C3 |
Product Overview
1-(3-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine (CAS 874604-75-8), with molecular formula C17H18N4O4S and molecular weight 374.10 g/mol. IUPAC: 1-(3-nitro-2-pyridinyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine.
Chemical Property Profile of 1-(3-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine
Property Insights of 1-(3-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine
The XLogP value of 2.1125 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine. The TPSA of 96.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine. Following Lipinski's Rule of Five, 1-(3-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine has 0 hydrogen bond donor(s) and 6 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-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine?
The CAS number of 1-(3-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine is 874604-75-8.
What is the molecular formula of 1-(3-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine?
The molecular formula of 1-(3-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine is C17H18N4O4S.
What is the molecular weight of 1-(3-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine?
The molecular weight of 1-(3-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine is 374.10 g/mol.
Where can I buy 1-(3-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine?
You can request a quote for 1-(3-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)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-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitropyridin-2-yl)-4-(2-phenylethenesulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.