4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 672944-52-4) is a chemical compound with molecular formula C16H14ClN3O2S and molecular weight 347.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-2,5-dimethoxyphenyl)-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-1,2,4-triazole-3-thiol, 4-(4-chloro-2,5-dimethoxyphenyl)-3-phenyl-1H-1,2,4-triazole-5-thione, 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H14ClN3O2S |
|---|---|
| Molecular Weight | 347.05 g/mol |
| LogP | 4.26749 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.04953 |
| Heavy Atoms | 23 |
| Complexity | 890.0862 |
Chemical Identifiers
| CAS Number | 672944-52-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1N2C(=NNC2=S)C3=CC=CC=C3)OC)Cl |
Product Overview
4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 672944-52-4), with molecular formula C16H14ClN3O2S and molecular weight 347.05 g/mol. IUPAC: 4-(4-chloro-2,5-dimethoxyphenyl)-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.26749 indicates that 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-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 52.07 Ų, 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol has 1 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-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol is 672944-52-4.
What is the molecular formula of 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol is C16H14ClN3O2S.
What is the molecular weight of 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol is 347.05 g/mol.
Where can I buy 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-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-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.