5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 488709-72-4) 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-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-cyclohexyl-4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 5-CYCLOHEXYL-4-((2,3-DIMETHOXYBENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 5-cyclohexyl-4-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C17H22N4O2S |
|---|---|
| Molecular Weight | 346.15 g/mol |
| LogP | 3.88779 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.14636 |
| Heavy Atoms | 24 |
| Complexity | 775.138 |
Chemical Identifiers
| CAS Number | 488709-72-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)/C=N/N2C(=NNC2=S)C3CCCCC3 |
Product Overview
5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 488709-72-4), with molecular formula C17H22N4O2S and molecular weight 346.15 g/mol. IUPAC: 3-cyclohexyl-4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.88779 indicates that 5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol has 1 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 5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 488709-72-4.
What is the molecular formula of 5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C17H22N4O2S.
What is the molecular weight of 5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 346.15 g/mol.
Where can I buy 5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)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-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyclohexyl-4-((2,3-dimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.