![4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol structure](/static/products/7906/790681-68-4.webp)
4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol
TL;DR: 4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol (CAS 790681-68-4) is a chemical compound with molecular formula C16H22N4OS and molecular weight 318.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohexyl-3-[(3-methoxyanilino)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol, 4-Cyclohexyl-5-(((3-methoxyphenyl)amino)methyl)-4H-1,2,4-triazole-3-thiol, 4-cyclohexyl-3-[(3-methoxyanilino)methyl]-1H-1,2,4-triazole-5-thione, 4-CYCLOHEXYL-5-[[(3-METHOXYPHENYL)AMINO]METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL, 4-Cyclohexyl-5-([(3-methoxyphenyl)amino]methyl)-4h-1,2,4-triazole-3-thiol
| Molecular Formula | C16H22N4OS |
|---|---|
| Molecular Weight | 318.15 g/mol |
| LogP | 4.06659 |
| Topological Polar Surface Area | 54.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.15143 |
| Heavy Atoms | 22 |
| Complexity | 672.78046 |
Chemical Identifiers
| CAS Number | 790681-68-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NCC2=NNC(=S)N2C3CCCCC3 |
Product Overview
4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol (CAS 790681-68-4), with molecular formula C16H22N4OS and molecular weight 318.15 g/mol. IUPAC: 4-cyclohexyl-3-[(3-methoxyanilino)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol
Property Insights of 4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.06659 indicates that 4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.87 Ų, 4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 4 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 4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol is 790681-68-4.
What is the molecular formula of 4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol is C16H22N4OS.
What is the molecular weight of 4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol is 318.15 g/mol.
Where can I buy 4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-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-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-cyclohexyl-5-{[(3-methoxyphenyl)amino]methyl}-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.