![5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol structure](/static/products/714/714949-54-9.png)
5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol
TL;DR: 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol (CAS 714949-54-9) is a chemical compound with molecular formula C16H18N6O3S and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-methyl-1H-pyrazol-3-yl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol, (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(5-methyl-1H-pyrazol-3-yl)-4-[(3,4,5-trimethoxybenzylidene)amino]-1H-1,2,4-triazole-5-thione, 3-(5-methyl-1H-pyrazol-3-yl)-4-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 3-(5-methyl-1H-pyrazol-3-yl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C16H18N6O3S |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | 2.54721 |
| Topological Polar Surface Area | 102.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.11612 |
| Heavy Atoms | 26 |
| Complexity | 978.57654 |
Chemical Identifiers
| CAS Number | 714949-54-9 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NNC(=S)N2/N=C/C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol (CAS 714949-54-9), with molecular formula C16H18N6O3S and molecular weight 374.12 g/mol. IUPAC: 3-(5-methyl-1H-pyrazol-3-yl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol
Property Insights of 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol
The XLogP value of 2.54721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol. The TPSA of 102.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol. Following Lipinski's Rule of Five, 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol has 2 hydrogen bond donor(s) and 7 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 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol?
The CAS number of 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol is 714949-54-9.
What is the molecular formula of 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol?
The molecular formula of 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol is C16H18N6O3S.
What is the molecular weight of 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol?
The molecular weight of 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol is 374.12 g/mol.
Where can I buy 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol?
You can request a quote for 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-Methyl-2H-pyrazol-3-yl)-4-{[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole- 3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.