![(5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one structure](/static/products/100/1004717-55-8.png)
(5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one
TL;DR: (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one (CAS 1004717-55-8) is a chemical compound with molecular formula C23H20N4O3S3 and molecular weight 496.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one, (5Z)-5-[[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-((1-phenyl-3-(3-(pyrrolidin-1-ylsulfonyl)phenyl)-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
| Molecular Formula | C23H20N4O3S3 |
|---|---|
| Molecular Weight | 496.07 g/mol |
| LogP | 3.8126 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.06976 |
| Heavy Atoms | 33 |
| Complexity | 1374.9429 |
Chemical Identifiers
| CAS Number | 1004717-55-8 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3/C=C\4/C(=O)NC(=S)S4)C5=CC=CC=C5 |
Product Overview
(5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one (CAS 1004717-55-8), with molecular formula C23H20N4O3S3 and molecular weight 496.07 g/mol. IUPAC: (5Z)-5-[[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one
Property Insights of (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one
The XLogP value of 3.8126 indicates that (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one. Following Lipinski's Rule of Five, (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one has 1 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 (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one?
The CAS number of (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one is 1004717-55-8.
What is the molecular formula of (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one?
The molecular formula of (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one is C23H20N4O3S3.
What is the molecular weight of (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one?
The molecular weight of (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one is 496.07 g/mol.
Where can I buy (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one?
You can request a quote for (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.