![3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone structure](/static/products/3126/312601-82-4.webp)
3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone
TL;DR: 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone (CAS 312601-82-4) is a chemical compound with molecular formula C23H21N3OS2 and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone, (Z)-3-isopropyl-5-((1-phenyl-3-(p-tolyl)-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C23H21N3OS2 |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 5.45732 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.1126 |
| Heavy Atoms | 29 |
| Complexity | 1098.9115 |
Chemical Identifiers
| CAS Number | 312601-82-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C(C)C)C4=CC=CC=C4 |
Product Overview
3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone (CAS 312601-82-4), with molecular formula C23H21N3OS2 and molecular weight 419.11 g/mol. IUPAC: (5Z)-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone
Property Insights of 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone
The XLogP value of 5.45732 indicates that 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-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, 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-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 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone?
The CAS number of 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone is 312601-82-4.
What is the molecular formula of 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone?
The molecular formula of 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone is C23H21N3OS2.
What is the molecular weight of 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone?
The molecular weight of 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone is 419.11 g/mol.
Where can I buy 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone?
You can request a quote for 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-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 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.