5-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone
TL;DR: 5-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone (CAS 317844-79-4) is a chemical compound with molecular formula C17H10BrFN2O2S and molecular weight 403.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one
Also Known As: BAS 00364232, BIM-0016886.P001, 5-(4-bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone, (E)-5-(4-bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxoimidazolidin-4-one, 5-(4-Bromo-benzylidene)-1-(4-fluoro-benzoyl)-2-thioxo-imidazolidin-4-one
| Molecular Formula | C17H10BrFN2O2S |
|---|---|
| Molecular Weight | 403.96 g/mol |
| LogP | 3.4862 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.96304 |
| Heavy Atoms | 24 |
| Complexity | 863.1642 |
Chemical Identifiers
| CAS Number | 317844-79-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/2\C(=O)NC(=S)N2C(=O)C3=CC=C(C=C3)F)Br |
Product Overview
5-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone (CAS 317844-79-4), with molecular formula C17H10BrFN2O2S and molecular weight 403.96 g/mol. IUPAC: (5E)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone
Property Insights of 5-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone
The XLogP value of 3.4862 indicates that 5-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, 5-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone has 1 hydrogen bond donor(s) and 3 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-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone?
The CAS number of 5-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone is 317844-79-4.
What is the molecular formula of 5-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone?
The molecular formula of 5-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone is C17H10BrFN2O2S.
What is the molecular weight of 5-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone?
The molecular weight of 5-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone is 403.96 g/mol.
Where can I buy 5-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone?
You can request a quote for 5-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-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-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Bromobenzylidene)-1-(4-fluorobenzoyl)-2-thioxo-4-imidazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.