(Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide
TL;DR: (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide (CAS 892634-55-8) is a chemical compound with molecular formula C18H20N2O4S3 and molecular weight 424.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
Also Known As: (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide, 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide, 2-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide
| Molecular Formula | C18H20N2O4S3 |
|---|---|
| Molecular Weight | 424.06 g/mol |
| LogP | 1.9234 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.05853 |
| Heavy Atoms | 27 |
| Complexity | 896.44165 |
Chemical Identifiers
| CAS Number | 892634-55-8 |
|---|---|
| SMILES | CCN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=S |
Product Overview
(Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide (CAS 892634-55-8), with molecular formula C18H20N2O4S3 and molecular weight 424.06 g/mol. IUPAC: 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.
Chemical Property Profile of (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide
Property Insights of (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide
The XLogP value of 1.9234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide. Following Lipinski's Rule of Five, (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide has 0 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)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide?
The CAS number of (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide is 892634-55-8.
What is the molecular formula of (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide?
The molecular formula of (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide is C18H20N2O4S3.
What is the molecular weight of (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide?
The molecular weight of (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide is 424.06 g/mol.
Where can I buy (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide?
You can request a quote for (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.