(Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
TL;DR: (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one (CAS 311810-01-2) is a chemical compound with molecular formula C18H17N3O4S3 and molecular weight 435.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C18H17N3O4S3 |
|---|---|
| Molecular Weight | 435.04 g/mol |
| LogP | 1.86232 |
| Topological Polar Surface Area | 92.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.03812 |
| Heavy Atoms | 28 |
| Complexity | 1162.4279 |
Chemical Identifiers
| CAS Number | 311810-01-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=C\3/C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4 |
Product Overview
(Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one (CAS 311810-01-2), with molecular formula C18H17N3O4S3 and molecular weight 435.04 g/mol. IUPAC: (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
Property Insights of (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
The XLogP value of 1.86232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one. The TPSA of 92.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-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 (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
The CAS number of (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one is 311810-01-2.
What is the molecular formula of (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular formula of (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one is C18H17N3O4S3.
What is the molecular weight of (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular weight of (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one is 435.04 g/mol.
Where can I buy (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
You can request a quote for (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.