![3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione structure](/static/products/4778/477859-31-7.webp)
3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione
TL;DR: 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS 477859-31-7) is a chemical compound with molecular formula C23H11F3N2O3S2 and molecular weight 484.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-4-oxo-2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]benzo[de]isoquinoline-1,3-dione
Also Known As: 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione, 2-(4-Oxo-2-thioxo-5-((2-(trifluoromethyl)phenyl)methylene)-1,3-thiazolan-3-yl)-1H-benzo(de)isoquinoline-1,3(2H)-dione, 2-[(5E)-4-oxo-2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]benzo[de]isoquinoline-1,3-dione
| Molecular Formula | C23H11F3N2O3S2 |
|---|---|
| Molecular Weight | 484.02 g/mol |
| LogP | 5.271 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 484.01633 |
| Heavy Atoms | 33 |
| Complexity | 1381.214 |
Chemical Identifiers
| CAS Number | 477859-31-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=S)S2)N3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C(F)(F)F |
Product Overview
3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS 477859-31-7), with molecular formula C23H11F3N2O3S2 and molecular weight 484.02 g/mol. IUPAC: 2-[(5E)-4-oxo-2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione
Property Insights of 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione
The XLogP value of 5.271 indicates that 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The CAS number of 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione is 477859-31-7.
What is the molecular formula of 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The molecular formula of 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione is C23H11F3N2O3S2.
What is the molecular weight of 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The molecular weight of 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione is 484.02 g/mol.
Where can I buy 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
You can request a quote for 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5Z)-4-oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.