![2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol structure](/static/products/568/5685-64-3.png)
2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol
TL;DR: 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol (CAS 5685-64-3) is a chemical compound with molecular formula C17H22N4O2S and molecular weight 346.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyl-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 2-[(1Z)-2-(5-cyclohexyl-3-sulfanyl(1,2,4-triazol-4-yl))-2-azavinyl]-6-ethoxyph enol, 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol, 3-cyclohexyl-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C17H22N4O2S |
|---|---|
| Molecular Weight | 346.15 g/mol |
| LogP | 3.97489 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.14636 |
| Heavy Atoms | 24 |
| Complexity | 775.138 |
Chemical Identifiers
| CAS Number | 5685-64-3 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1O)C=NN2C(=NNC2=S)C3CCCCC3 |
Product Overview
2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol (CAS 5685-64-3), with molecular formula C17H22N4O2S and molecular weight 346.15 g/mol. IUPAC: 3-cyclohexyl-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol
Property Insights of 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol
The XLogP value of 3.97489 indicates that 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol. Following Lipinski's Rule of Five, 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol has 2 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 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol?
The CAS number of 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol is 5685-64-3.
What is the molecular formula of 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol?
The molecular formula of 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol is C17H22N4O2S.
What is the molecular weight of 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol?
The molecular weight of 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol is 346.15 g/mol.
Where can I buy 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol?
You can request a quote for 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-6-ethoxyphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.