![5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone structure](/static/products/3133/313362-28-6.webp)
5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone
TL;DR: 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone (CAS 313362-28-6) is a chemical compound with molecular formula C22H18FN3OS2 and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone, (5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-isopropyl-2-thioxo-thiazolidin-4-one, (5Z)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one, (Z)-5-((3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-isopropyl-2-thioxothiazolidin-4-one
| Molecular Formula | C22H18FN3OS2 |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 5.288 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.08752 |
| Heavy Atoms | 29 |
| Complexity | 1104.8458 |
Chemical Identifiers
| CAS Number | 313362-28-6 |
|---|---|
| SMILES | CC(C)N1C(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)/SC1=S |
Product Overview
5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone (CAS 313362-28-6), with molecular formula C22H18FN3OS2 and molecular weight 423.09 g/mol. IUPAC: (5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone
Property Insights of 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone
The XLogP value of 5.288 indicates that 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone?
The CAS number of 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone is 313362-28-6.
What is the molecular formula of 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone?
The molecular formula of 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone is C22H18FN3OS2.
What is the molecular weight of 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone?
The molecular weight of 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone is 423.09 g/mol.
Where can I buy 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone?
You can request a quote for 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.