5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one
TL;DR: 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one (CAS 53865-29-5) is a chemical compound with molecular formula C16H11N3O3S and molecular weight 325.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-nitrophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one, 5-[(2-nitrophenyl)methylidene]-3-phenyl-2-sulfanylidene-imidazolidin-4-one, (5Z)-5-[(2-nitrophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C16H11N3O3S |
|---|---|
| Molecular Weight | 325.05 g/mol |
| LogP | 2.857 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.05212 |
| Heavy Atoms | 23 |
| Complexity | 833.47394 |
Chemical Identifiers
| CAS Number | 53865-29-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CC=C3[N+](=O)[O-])/NC2=S |
Product Overview
5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one (CAS 53865-29-5), with molecular formula C16H11N3O3S and molecular weight 325.05 g/mol. IUPAC: (5Z)-5-[(2-nitrophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one
Property Insights of 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one
The XLogP value of 2.857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one has 1 hydrogen bond donor(s) and 4 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 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one?
The CAS number of 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one is 53865-29-5.
What is the molecular formula of 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one?
The molecular formula of 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one is C16H11N3O3S.
What is the molecular weight of 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one?
The molecular weight of 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one is 325.05 g/mol.
Where can I buy 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one?
You can request a quote for 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Nitrobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.