(E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
TL;DR: (E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 348586-85-6) is a chemical compound with molecular formula C19H17BrN6O4S and molecular weight 504.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: (E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C19H17BrN6O4S |
|---|---|
| Molecular Weight | 504.02 g/mol |
| LogP | 3.4038 |
| Topological Polar Surface Area | 124.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.02155 |
| Heavy Atoms | 31 |
| Complexity | 1150.1768 |
Chemical Identifiers
| CAS Number | 348586-85-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 348586-85-6), with molecular formula C19H17BrN6O4S and molecular weight 504.02 g/mol. IUPAC: N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of (E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
Property Insights of (E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
The XLogP value of 3.4038 indicates that (E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-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 124.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide has 1 hydrogen bond donor(s) and 8 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-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The CAS number of (E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 348586-85-6.
What is the molecular formula of (E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular formula of (E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is C19H17BrN6O4S.
What is the molecular weight of (E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular weight of (E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 504.02 g/mol.
Where can I buy (E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
You can request a quote for (E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-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'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(5-bromo-2-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.