![N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide structure](/static/products/3843/384374-95-2.webp)
N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide
TL;DR: N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide (CAS 384374-95-2) is a chemical compound with molecular formula C20H18ClN3O2S and molecular weight 399.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)methanimine
Also Known As: N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide, 1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)methanimine, (E)-3-(((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide, 3-[(E)-{[3-(4-CHLOROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLIDENE}AMINO]-1LAMBDA6-THIOLANE-11-DIONE
| Molecular Formula | C20H18ClN3O2S |
|---|---|
| Molecular Weight | 399.08 g/mol |
| LogP | 3.7987 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.0808 |
| Heavy Atoms | 27 |
| Complexity | 1074.1744 |
Chemical Identifiers
| CAS Number | 384374-95-2 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
Product Overview
N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide (CAS 384374-95-2), with molecular formula C20H18ClN3O2S and molecular weight 399.08 g/mol. IUPAC: 1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)methanimine.
Chemical Property Profile of N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide
Property Insights of N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide
The XLogP value of 3.7987 indicates that N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide. Following Lipinski's Rule of Five, N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide has 0 hydrogen bond donor(s) and 4 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 N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide?
The CAS number of N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide is 384374-95-2.
What is the molecular formula of N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide?
The molecular formula of N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide is C20H18ClN3O2S.
What is the molecular weight of N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide?
The molecular weight of N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide is 399.08 g/mol.
Where can I buy N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide?
You can request a quote for N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 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 N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.