(E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
TL;DR: (E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 586993-63-7) is a chemical compound with molecular formula C19H18FN5O2S and molecular weight 399.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: (E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-[(E)-{4-[(2-fluorobenzyl)oxy]phenyl}methylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide, N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C19H18FN5O2S |
|---|---|
| Molecular Weight | 399.12 g/mol |
| LogP | 2.7756 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.11652 |
| Heavy Atoms | 28 |
| Complexity | 958.96765 |
Chemical Identifiers
| CAS Number | 586993-63-7 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)N/N=C/C2=CC=C(C=C2)OCC3=CC=CC=C3F |
Product Overview
(E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 586993-63-7), with molecular formula C19H18FN5O2S and molecular weight 399.12 g/mol. IUPAC: N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of (E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
Property Insights of (E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
The XLogP value of 2.7756 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide has 1 hydrogen bond donor(s) and 6 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)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The CAS number of (E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 586993-63-7.
What is the molecular formula of (E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular formula of (E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is C19H18FN5O2S.
What is the molecular weight of (E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular weight of (E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 399.12 g/mol.
Where can I buy (E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
You can request a quote for (E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-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'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(4-((2-fluorobenzyl)oxy)benzylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.