(E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide
TL;DR: (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide (CAS 488792-95-6) is a chemical compound with molecular formula C19H16BrFN4OS3 and molecular weight 509.97 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-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Also Known As: (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide, N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]-2-({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetohydrazide, N-[(1E)-2-(5-bromo-2-fluorophenyl)-1-azavinyl]-2-{5-[(4-methylphenyl)methylthi o](1,3,4-thiadiazol-2-ylthio)}acetamide, N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
| Molecular Formula | C19H16BrFN4OS3 |
|---|---|
| Molecular Weight | 509.97 g/mol |
| LogP | 5.28282 |
| Topological Polar Surface Area | 67.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 509.96536 |
| Heavy Atoms | 29 |
| Complexity | 1010.9438 |
Chemical Identifiers
| CAS Number | 488792-95-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)N/N=C/C3=C(C=CC(=C3)Br)F |
Product Overview
(E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide (CAS 488792-95-6), with molecular formula C19H16BrFN4OS3 and molecular weight 509.97 g/mol. IUPAC: N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide
Property Insights of (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide
The XLogP value of 5.28282 indicates that (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide has 1 hydrogen bond donor(s) and 7 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-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide?
The CAS number of (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide is 488792-95-6.
What is the molecular formula of (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide?
The molecular formula of (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide is C19H16BrFN4OS3.
What is the molecular weight of (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide?
The molecular weight of (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide is 509.97 g/mol.
Where can I buy (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide?
You can request a quote for (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-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-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.