(Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide
TL;DR: (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide (CAS 315243-30-2) is a chemical compound with molecular formula C22H21N3O4S2 and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)butanamide
Also Known As: (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide, 4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)butanamide, 4-[(5Z)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)butanamide, 4-{5-[(4-ethylphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-nit rophenyl)butanamide
| Molecular Formula | C22H21N3O4S2 |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 4.7773 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.09735 |
| Heavy Atoms | 31 |
| Complexity | 1050.9764 |
Chemical Identifiers
| CAS Number | 315243-30-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
(Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide (CAS 315243-30-2), with molecular formula C22H21N3O4S2 and molecular weight 455.10 g/mol. IUPAC: 4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)butanamide.
Chemical Property Profile of (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide
Property Insights of (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide
The XLogP value of 4.7773 indicates that (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide. Following Lipinski's Rule of Five, (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide 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)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide?
The CAS number of (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide is 315243-30-2.
What is the molecular formula of (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide?
The molecular formula of (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide is C22H21N3O4S2.
What is the molecular weight of (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide?
The molecular weight of (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide is 455.10 g/mol.
Where can I buy (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide?
You can request a quote for (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-nitrophenyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.