5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone
TL;DR: 5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone (CAS 53514-61-7) 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-[(3-nitrophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: 5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone, 5-[(3-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 | 537.0 |
Chemical Identifiers
| CAS Number | 53514-61-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])NC2=S |
| InChIKey | FPILVAHOEJISCY-UHFFFAOYSA-N |
Product Overview
5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone (CAS 53514-61-7), with molecular formula C16H11N3O3S and molecular weight 325.05 g/mol. IUPAC: 5-[(3-nitrophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone
Property Insights of 5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone
The XLogP value of 3.2 indicates that 5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone 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 5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone. Following Lipinski's Rule of Five, 5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone 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-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone?
The CAS number of 5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone is 53514-61-7.
What is the molecular formula of 5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone?
The molecular formula of 5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone is C16H11N3O3S.
What is the molecular weight of 5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone?
The molecular weight of 5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone is 325.05 g/mol.
Where can I buy 5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone?
You can request a quote for 5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-((3-Nitrophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.