(E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide
TL;DR: (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide (CAS 315201-74-2) is a chemical compound with molecular formula C18H14BrFN4OS3 and molecular weight 495.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide
Also Known As: (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide, 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide, 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]acetohydrazide, 2-{[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}-N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]acetohydrazide
| Molecular Formula | C18H14BrFN4OS3 |
|---|---|
| Molecular Weight | 495.95 g/mol |
| LogP | 4.9744 |
| Topological Polar Surface Area | 67.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.9497 |
| Heavy Atoms | 28 |
| Complexity | 968.47437 |
Chemical Identifiers
| CAS Number | 315201-74-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)N/N=C/C3=C(C=CC(=C3)Br)F |
Product Overview
(E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide (CAS 315201-74-2), with molecular formula C18H14BrFN4OS3 and molecular weight 495.95 g/mol. IUPAC: 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide
Property Insights of (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide
The XLogP value of 4.9744 indicates that (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)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)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide has 1 hydrogen bond donor(s) and 7 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-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide?
The CAS number of (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide is 315201-74-2.
What is the molecular formula of (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide?
The molecular formula of (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide is C18H14BrFN4OS3.
What is the molecular weight of (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide?
The molecular weight of (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide is 495.95 g/mol.
Where can I buy (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide?
You can request a quote for (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-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-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.