(Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide
TL;DR: (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide (CAS 714288-80-9) is a chemical compound with molecular formula C16H12N4O4S2 and molecular weight 388.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-nitrobenzamide
Also Known As: (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide, N-[(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-nitrobenzamide
| Molecular Formula | C16H12N4O4S2 |
|---|---|
| Molecular Weight | 388.03 g/mol |
| LogP | 2.4795 |
| Topological Polar Surface Area | 97.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.03 |
| Heavy Atoms | 26 |
| Complexity | 966.6643 |
Chemical Identifiers
| CAS Number | 714288-80-9 |
|---|---|
| SMILES | CN1C=CC=C1/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
(Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide (CAS 714288-80-9), with molecular formula C16H12N4O4S2 and molecular weight 388.03 g/mol. IUPAC: N-[(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-nitrobenzamide.
Chemical Property Profile of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide
Property Insights of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide
The XLogP value of 2.4795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide. The TPSA of 97.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide. Following Lipinski's Rule of Five, (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide 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)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide?
The CAS number of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide is 714288-80-9.
What is the molecular formula of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide?
The molecular formula of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide is C16H12N4O4S2.
What is the molecular weight of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide?
The molecular weight of (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide is 388.03 g/mol.
Where can I buy (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide?
You can request a quote for (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.