1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene
TL;DR: 1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene (CAS 1024793-19-8) is a chemical compound with molecular formula C18H19FN2O4S and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-tert-butylphenyl)sulfonyl-2-nitroethenyl]-4-fluoroaniline
Also Known As: 1-((4-(TERT-BUTYL)PHENYL)SULFONYL)-2-((4-FLUOROPHENYL)AMINO)-1-NITROETHENE, 4-fluoro-N-[2-nitro-2-(4-tert-butylphenyl)sulfonyl-ethenyl]aniline, N-[2-(4-tert-butylphenyl)sulfonyl-2-nitro-vinyl]-4-fluoro-aniline, N-[2-(4-tert-butylphenyl)sulfonyl-2-nitroethenyl]-4-fluoroaniline
| Molecular Formula | C18H19FN2O4S |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 4.0846 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.10495 |
| Heavy Atoms | 26 |
| Complexity | 928.65155 |
Chemical Identifiers
| CAS Number | 1024793-19-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC=C(C=C2)F)[N+](=O)[O-] |
Product Overview
1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene (CAS 1024793-19-8), with molecular formula C18H19FN2O4S and molecular weight 378.10 g/mol. IUPAC: N-[2-(4-tert-butylphenyl)sulfonyl-2-nitroethenyl]-4-fluoroaniline.
Chemical Property Profile of 1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene
Property Insights of 1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene
The XLogP value of 4.0846 indicates that 1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene. Following Lipinski's Rule of Five, 1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene has 1 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-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene?
The CAS number of 1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene is 1024793-19-8.
What is the molecular formula of 1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene?
The molecular formula of 1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene is C18H19FN2O4S.
What is the molecular weight of 1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene?
The molecular weight of 1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene is 378.10 g/mol.
Where can I buy 1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene?
You can request a quote for 1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-(Tert-butyl)phenyl)sulfonyl)-2-((4-fluorophenyl)amino)-1-nitroethene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.