![5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole structure](/static/products/854/854039-86-4.png)
5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole
TL;DR: 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole (CAS 854039-86-4) is a chemical compound with molecular formula C20H21N5O4S and molecular weight 427.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]indazole
Also Known As: 5-nitro-1-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]indazole, 5-nitro-1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]indazole, 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole
| Molecular Formula | C20H21N5O4S |
|---|---|
| Molecular Weight | 427.13 g/mol |
| LogP | 2.5203 |
| Topological Polar Surface Area | 101.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.13144 |
| Heavy Atoms | 30 |
| Complexity | 1182.3871 |
Chemical Identifiers
| CAS Number | 854039-86-4 |
|---|---|
| SMILES | C1CN(CCN1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2)S(=O)(=O)/C=C/C4=CC=CC=C4 |
Product Overview
5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole (CAS 854039-86-4), with molecular formula C20H21N5O4S and molecular weight 427.13 g/mol. IUPAC: 5-nitro-1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]indazole.
Chemical Property Profile of 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole
Property Insights of 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole
The XLogP value of 2.5203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole. The TPSA of 101.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole. Following Lipinski's Rule of Five, 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole 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 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole?
The CAS number of 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole is 854039-86-4.
What is the molecular formula of 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole?
The molecular formula of 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole is C20H21N5O4S.
What is the molecular weight of 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole?
The molecular weight of 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole is 427.13 g/mol.
Where can I buy 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole?
You can request a quote for 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-1-{[4-(2-phenylethenesulfonyl)piperazin-1-yl]methyl}-1H-indazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.