(E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide
TL;DR: (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide (CAS 371133-83-4) is a chemical compound with molecular formula C17H18BrN7OS and molecular weight 447.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
Also Known As: (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide, [5-(3-Bromo-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid [1-(1,3-dimethyl-1H-pyrazol-4-yl)-meth-(E)-ylidene]-hydrazide, 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide, 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
| Molecular Formula | C17H18BrN7OS |
|---|---|
| Molecular Weight | 447.05 g/mol |
| LogP | 2.52892 |
| Topological Polar Surface Area | 89.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.0477 |
| Heavy Atoms | 27 |
| Complexity | 995.08594 |
Chemical Identifiers
| CAS Number | 371133-83-4 |
|---|---|
| SMILES | CC1=NN(C=C1/C=N/NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)Br)C |
Product Overview
(E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide (CAS 371133-83-4), with molecular formula C17H18BrN7OS and molecular weight 447.05 g/mol. IUPAC: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide
Property Insights of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide
The XLogP value of 2.52892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide. The TPSA of 89.99 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)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)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide?
The CAS number of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide is 371133-83-4.
What is the molecular formula of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide?
The molecular formula of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide is C17H18BrN7OS.
What is the molecular weight of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide?
The molecular weight of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide is 447.05 g/mol.
Where can I buy (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide?
You can request a quote for (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)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-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.