![4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione structure](/static/products/4777/477766-82-8.webp)
4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
TL;DR: 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione (CAS 477766-82-8) is a chemical compound with molecular formula C19H13N3O5S2 and molecular weight 427.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione, 4-{5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-azatricyclo[5.2.1.0(2),?]dec-8-ene-3,5-dione
| Molecular Formula | C19H13N3O5S2 |
|---|---|
| Molecular Weight | 427.03 g/mol |
| LogP | 2.5181 |
| Topological Polar Surface Area | 100.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.02966 |
| Heavy Atoms | 29 |
| Complexity | 1034.1078 |
Chemical Identifiers
| CAS Number | 477766-82-8 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)N4C(=O)C(=CC5=CC=C(C=C5)[N+](=O)[O-])SC4=S |
Product Overview
4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione (CAS 477766-82-8), with molecular formula C19H13N3O5S2 and molecular weight 427.03 g/mol. IUPAC: 4-[5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
Property Insights of 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
The XLogP value of 2.5181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione. The TPSA of 100.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione. Following Lipinski's Rule of Five, 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione has 0 hydrogen bond donor(s) and 7 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 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione?
The CAS number of 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione is 477766-82-8.
What is the molecular formula of 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione?
The molecular formula of 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione is C19H13N3O5S2.
What is the molecular weight of 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione?
The molecular weight of 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione is 427.03 g/mol.
Where can I buy 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione?
You can request a quote for 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.