(E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
TL;DR: (E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 348102-99-8) is a chemical compound with molecular formula C25H22BrN5O2S and molecular weight 535.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
Also Known As: (E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide, N'-{(E)-[2-(benzyloxy)phenyl]methylidene}-2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
| Molecular Formula | C25H22BrN5O2S |
|---|---|
| Molecular Weight | 535.07 g/mol |
| LogP | 5.066 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 535.06775 |
| Heavy Atoms | 34 |
| Complexity | 1276.2279 |
Chemical Identifiers
| CAS Number | 348102-99-8 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=C(C=C4)Br |
Product Overview
(E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 348102-99-8), with molecular formula C25H22BrN5O2S and molecular weight 535.07 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of (E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
Property Insights of (E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
The XLogP value of 5.066 indicates that (E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide has 1 hydrogen bond donor(s) and 6 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'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The CAS number of (E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 348102-99-8.
What is the molecular formula of (E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular formula of (E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is C25H22BrN5O2S.
What is the molecular weight of (E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular weight of (E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 535.07 g/mol.
Where can I buy (E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
You can request a quote for (E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-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'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(2-(benzyloxy)benzylidene)-2-((5-(4-bromophenyl)-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.