![4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol structure](/static/products/716/716331-37-2.png)
4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol
TL;DR: 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol (CAS 716331-37-2) is a chemical compound with molecular formula C26H18N6S and molecular weight 446.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-anthracen-9-ylmethylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol, 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-triazole-3-th iol, 4-(9-anthrylmethyleneamino)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione, (E)-4-((anthracen-9-ylmethylene)amino)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-(9-anthracenylmethylideneamino)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C26H18N6S |
|---|---|
| Molecular Weight | 446.13 g/mol |
| LogP | 6.18639 |
| Topological Polar Surface Area | 74.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.13138 |
| Heavy Atoms | 33 |
| Complexity | 1636.9667 |
Chemical Identifiers
| CAS Number | 716331-37-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3/N=C/C4=C5C=CC=CC5=CC6=CC=CC=C64 |
Product Overview
4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol (CAS 716331-37-2), with molecular formula C26H18N6S and molecular weight 446.13 g/mol. IUPAC: 4-[(E)-anthracen-9-ylmethylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol
Property Insights of 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol
The XLogP value of 6.18639 indicates that 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol. Following Lipinski's Rule of Five, 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol?
The CAS number of 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol is 716331-37-2.
What is the molecular formula of 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol is C26H18N6S.
What is the molecular weight of 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol is 446.13 g/mol.
Where can I buy 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-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 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.