![2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone structure](/static/products/852/852301-50-9.png)
2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone
TL;DR: 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone (CAS 852301-50-9) is a chemical compound with molecular formula C21H21F3N4O5S and molecular weight 498.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-nitro-4-(trifluoromethyl)anilino]-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
Also Known As: 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone, 2-[2-nitro-4-(trifluoromethyl)anilino]-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone, 2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}-1-[4-(2-phenylethenesulfonyl)piperazin-1-yl]ethan-1-one
| Molecular Formula | C21H21F3N4O5S |
|---|---|
| Molecular Weight | 498.12 g/mol |
| LogP | 3.1704 |
| Topological Polar Surface Area | 112.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.11847 |
| Heavy Atoms | 34 |
| Complexity | 1178.6401 |
Chemical Identifiers
| CAS Number | 852301-50-9 |
|---|---|
| SMILES | C1CN(CCN1C(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)/C=C/C3=CC=CC=C3 |
Product Overview
2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone (CAS 852301-50-9), with molecular formula C21H21F3N4O5S and molecular weight 498.12 g/mol. IUPAC: 2-[2-nitro-4-(trifluoromethyl)anilino]-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone.
Chemical Property Profile of 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone
Property Insights of 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone
The XLogP value of 3.1704 indicates that 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone. Following Lipinski's Rule of Five, 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone has 1 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 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone?
The CAS number of 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone is 852301-50-9.
What is the molecular formula of 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone?
The molecular formula of 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone is C21H21F3N4O5S.
What is the molecular weight of 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone?
The molecular weight of 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone is 498.12 g/mol.
Where can I buy 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone?
You can request a quote for 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.