3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one
TL;DR: 3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one (CAS 352330-86-0) is a chemical compound with molecular formula C17H9BrN2O4S2 and molecular weight 447.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(2-bromobenzoyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-(2-bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-(2-bromobenzoyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-[(2-bromophenyl)carbonyl]-5-[(4-nitrophenyl)methylene]-2-thioxo-1,3-thiazoli din-4-one
| Molecular Formula | C17H9BrN2O4S2 |
|---|---|
| Molecular Weight | 447.92 g/mol |
| LogP | 4.3989 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.9187 |
| Heavy Atoms | 26 |
| Complexity | 972.9831 |
Chemical Identifiers
| CAS Number | 352330-86-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N2C(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/SC2=S)Br |
Product Overview
3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one (CAS 352330-86-0), with molecular formula C17H9BrN2O4S2 and molecular weight 447.92 g/mol. IUPAC: (5Z)-3-(2-bromobenzoyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Property Insights of 3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 4.3989 indicates that 3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one has 0 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 3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of 3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one is 352330-86-0.
What is the molecular formula of 3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of 3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one is C17H9BrN2O4S2.
What is the molecular weight of 3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of 3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one is 447.92 g/mol.
Where can I buy 3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for 3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Bromobenzoyl)-5-{4-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.