(E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide
TL;DR: (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide (CAS 355115-20-7) is a chemical compound with molecular formula C20H18N4O4S and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-1-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methanimine
Also Known As: (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide, F1260-0889, 3-[(E)-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino]-1lambda6-thiolane-1,1-dione, N-(1,1-dioxothiolan-3-yl)-1-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methanimine, 3-{(1E)-2-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-1-azavinyl}thiolane-1,1-dio ne
| Molecular Formula | C20H18N4O4S |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 3.0535 |
| Topological Polar Surface Area | 107.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.1049 |
| Heavy Atoms | 29 |
| Complexity | 1186.2001 |
Chemical Identifiers
| CAS Number | 355115-20-7 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N=CC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
(E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide (CAS 355115-20-7), with molecular formula C20H18N4O4S and molecular weight 410.10 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-1-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methanimine.
Chemical Property Profile of (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide
Property Insights of (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide
The XLogP value of 3.0535 indicates that (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.46 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide. Following Lipinski's Rule of Five, (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide 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 (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide?
The CAS number of (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide is 355115-20-7.
What is the molecular formula of (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide?
The molecular formula of (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide is C20H18N4O4S.
What is the molecular weight of (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide?
The molecular weight of (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide is 410.10 g/mol.
Where can I buy (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide?
You can request a quote for (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.