(5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one
TL;DR: (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one (CAS 53514-58-2) 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.
5-[(4-nitrophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one, 5-[(4-nitrophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one, (5Z)-5-[(4-nitrophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C16H11N3O3S |
|---|---|
| Molecular Weight | 325.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.05212 |
| Heavy Atoms | 23 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 53514-58-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])NC2=S |
| InChIKey | OTKRVOXOPIJRAY-UHFFFAOYSA-N |
Product Overview
(5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one (CAS 53514-58-2), with molecular formula C16H11N3O3S and molecular weight 325.05 g/mol. IUPAC: 5-[(4-nitrophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one
Property Insights of (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one
The XLogP value of 3.2 indicates that (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one. Following Lipinski's Rule of Five, (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-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 (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one?
The CAS number of (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one is 53514-58-2.
What is the molecular formula of (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one?
The molecular formula of (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one is C16H11N3O3S.
What is the molecular weight of (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one?
The molecular weight of (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one is 325.05 g/mol.
Where can I buy (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one?
You can request a quote for (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-2-mercapto-5-(4-nitrobenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.