(E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one
TL;DR: (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one (CAS 299953-05-2) is a chemical compound with molecular formula C18H14N2O3S2 and molecular weight 370.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-(2,3-dimethylphenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00534201, (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one, 3-(2,3-dimethylphenyl)-5-[(3-nitrophenyl)methylene]-2-thioxo-1,3-thiazolidin-4 -one, (5E)-3-(2,3-dimethylphenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C18H14N2O3S2 |
|---|---|
| Molecular Weight | 370.04 g/mol |
| LogP | 4.61744 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.0446 |
| Heavy Atoms | 25 |
| Complexity | 937.66846 |
Chemical Identifiers
| CAS Number | 299953-05-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=O)/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/SC2=S)C |
Product Overview
(E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one (CAS 299953-05-2), with molecular formula C18H14N2O3S2 and molecular weight 370.04 g/mol. IUPAC: (5E)-3-(2,3-dimethylphenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one
Property Insights of (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one
The XLogP value of 4.61744 indicates that (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one has 0 hydrogen bond donor(s) and 5 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 (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one?
The CAS number of (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one is 299953-05-2.
What is the molecular formula of (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one?
The molecular formula of (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one is C18H14N2O3S2.
What is the molecular weight of (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one?
The molecular weight of (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one is 370.04 g/mol.
Where can I buy (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one?
You can request a quote for (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2,3-dimethylphenyl)-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.