(Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide
TL;DR: (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide (CAS 641998-39-2) is a chemical compound with molecular formula C20H15N3O5S2 and molecular weight 441.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Also Known As: (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide, 4-nitro-N-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide, 4-nitro-N-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}benzamide
| Molecular Formula | C20H15N3O5S2 |
|---|---|
| Molecular Weight | 441.05 g/mol |
| LogP | 3.7058 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.04532 |
| Heavy Atoms | 30 |
| Complexity | 1049.1166 |
Chemical Identifiers
| CAS Number | 641998-39-2 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide (CAS 641998-39-2), with molecular formula C20H15N3O5S2 and molecular weight 441.05 g/mol. IUPAC: 4-nitro-N-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide
Property Insights of (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide
The XLogP value of 3.7058 indicates that (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide has 1 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 (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide?
The CAS number of (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide is 641998-39-2.
What is the molecular formula of (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide?
The molecular formula of (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide is C20H15N3O5S2.
What is the molecular weight of (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide?
The molecular weight of (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide is 441.05 g/mol.
Where can I buy (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide?
You can request a quote for (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-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-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.