(E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide
TL;DR: (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide (CAS 612811-68-4) is a chemical compound with molecular formula C24H18BrFN4O2S and molecular weight 524.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Also Known As: (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide, N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide, N-[(1E)-2-(5-bromo-2-fluorophenyl)-1-azavinyl]-2-[3-(2-methylphenyl)-4-oxo(3-h ydroquinazolin-2-ylthio)]acetamide, N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
| Molecular Formula | C24H18BrFN4O2S |
|---|---|
| Molecular Weight | 524.03 g/mol |
| LogP | 4.83812 |
| Topological Polar Surface Area | 76.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.0318 |
| Heavy Atoms | 33 |
| Complexity | 1437.9131 |
Chemical Identifiers
| CAS Number | 612811-68-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N/N=C/C4=C(C=CC(=C4)Br)F |
Product Overview
(E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide (CAS 612811-68-4), with molecular formula C24H18BrFN4O2S and molecular weight 524.03 g/mol. IUPAC: N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
Chemical Property Profile of (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide
Property Insights of (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide
The XLogP value of 4.83812 indicates that (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide?
The CAS number of (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide is 612811-68-4.
What is the molecular formula of (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide?
The molecular formula of (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide is C24H18BrFN4O2S.
What is the molecular weight of (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide?
The molecular weight of (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide is 524.03 g/mol.
Where can I buy (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide?
You can request a quote for (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.