![3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol structure](/static/products/103/1037560-97-6.png)
3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol
TL;DR: 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol (CAS 1037560-97-6) is a chemical compound with molecular formula C18H14N6OS and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol, (E)-3-(((3-mercapto-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol, 4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(3-hydroxyphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C18H14N6OS |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 3.58559 |
| Topological Polar Surface Area | 94.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.09497 |
| Heavy Atoms | 26 |
| Complexity | 1125.8062 |
Chemical Identifiers
| CAS Number | 1037560-97-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3/N=C/C4=CC(=CC=C4)O |
Product Overview
3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol (CAS 1037560-97-6), with molecular formula C18H14N6OS and molecular weight 362.09 g/mol. IUPAC: 4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol
Property Insights of 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol
The XLogP value of 3.58559 indicates that 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol. Following Lipinski's Rule of Five, 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol has 3 hydrogen bond donor(s) and 5 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 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol?
The CAS number of 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol is 1037560-97-6.
What is the molecular formula of 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol?
The molecular formula of 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol is C18H14N6OS.
What is the molecular weight of 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol?
The molecular weight of 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol is 362.09 g/mol.
Where can I buy 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol?
You can request a quote for 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-{(1E)-2-[5-(3-phenylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.