(Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide
TL;DR: (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide (CAS 892631-58-2) is a chemical compound with molecular formula C17H18N2O4S3 and molecular weight 410.04 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-methylacetamide
Also Known As: (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide, 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide, 2-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide
| Molecular Formula | C17H18N2O4S3 |
|---|---|
| Molecular Weight | 410.04 g/mol |
| LogP | 1.5333 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.04288 |
| Heavy Atoms | 26 |
| Complexity | 880.5289 |
Chemical Identifiers
| CAS Number | 892631-58-2 |
|---|---|
| SMILES | CN(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-methylacetamide (CAS 892631-58-2), with molecular formula C17H18N2O4S3 and molecular weight 410.04 g/mol. IUPAC: 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.
Chemical Property Profile of (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide
Property Insights of (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide
The XLogP value of 1.5333 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-methylacetamide. 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-methylacetamide. Following Lipinski's Rule of Five, (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide 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-methylacetamide?
The CAS number of (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide is 892631-58-2.
What is the molecular formula of (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide?
The molecular formula of (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide is C17H18N2O4S3.
What is the molecular weight of (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide?
The molecular weight of (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide is 410.04 g/mol.
Where can I buy (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide?
You can request a quote for (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide 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-methylacetamide?
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-methylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.