N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
TL;DR: N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 348588-34-1) is a chemical compound with molecular formula C19H17BrClN5O2S and molecular weight 493.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C19H17BrClN5O2S |
|---|---|
| Molecular Weight | 493.00 g/mol |
| LogP | 4.149 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.9975 |
| Heavy Atoms | 29 |
| Complexity | 1039.5789 |
Chemical Identifiers
| CAS Number | 348588-34-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NN=CC2=C(C=CC(=C2)Br)OC)C3=CC=C(C=C3)Cl |
Product Overview
N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 348588-34-1), with molecular formula C19H17BrClN5O2S and molecular weight 493.00 g/mol. IUPAC: N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
Property Insights of N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
The XLogP value of 4.149 indicates that N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-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 N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-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 N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The CAS number of N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 348588-34-1.
What is the molecular formula of N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular formula of N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is C19H17BrClN5O2S.
What is the molecular weight of N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular weight of N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 493.00 g/mol.
Where can I buy N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
You can request a quote for N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-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 N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(5-bromo-2-methoxybenzylidene)-2-((5-(4-chlorophenyl)-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.