(E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide
TL;DR: (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide (CAS 612829-22-8) is a chemical compound with molecular formula C23H16ClFN4O2S and molecular weight 466.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
Also Known As: (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide, 2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(2-fluorophenyl)methylideneamino]acetamide, 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide, 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide, N-[(1E)-2-(2-fluorophenyl)-1-azavinyl]-2-[3-(4-chlorophenyl)-4-oxo(3-hydroquin azolin-2-ylthio)]acetamide
| Molecular Formula | C23H16ClFN4O2S |
|---|---|
| Molecular Weight | 466.07 g/mol |
| LogP | 4.4206 |
| Topological Polar Surface Area | 76.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.06665 |
| Heavy Atoms | 32 |
| Complexity | 1372.795 |
Chemical Identifiers
| CAS Number | 612829-22-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)F |
Product Overview
(E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide (CAS 612829-22-8), with molecular formula C23H16ClFN4O2S and molecular weight 466.07 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide
Property Insights of (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide
The XLogP value of 4.4206 indicates that (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)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)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide has 1 hydrogen bond donor(s) and 5 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 (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide?
The CAS number of (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide is 612829-22-8.
What is the molecular formula of (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide?
The molecular formula of (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide is C23H16ClFN4O2S.
What is the molecular weight of (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide?
The molecular weight of (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide is 466.07 g/mol.
Where can I buy (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide?
You can request a quote for (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.