![3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one structure](/static/products/7061/7061-44-1.webp)
3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
TL;DR: 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 7061-44-1) is a chemical compound with molecular formula C22H20N4OS2 and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butan-2-yl-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one, 3-butan-2-yl-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C22H20N4OS2 |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 4.934 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.10785 |
| Heavy Atoms | 29 |
| Complexity | 1076.7064 |
Chemical Identifiers
| CAS Number | 7061-44-1 |
|---|---|
| SMILES | CCC(C)N1C(=O)C(=CC2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4)SC1=S |
Product Overview
3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 7061-44-1), with molecular formula C22H20N4OS2 and molecular weight 420.11 g/mol. IUPAC: 3-butan-2-yl-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Property Insights of 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
The XLogP value of 4.934 indicates that 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one has 0 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 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one?
The CAS number of 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one is 7061-44-1.
What is the molecular formula of 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one?
The molecular formula of 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one is C22H20N4OS2.
What is the molecular weight of 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one?
The molecular weight of 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one is 420.11 g/mol.
Where can I buy 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one?
You can request a quote for 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Butan-2-yl)-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.