4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 879565-11-4) is a chemical compound with molecular formula C17H15ClFN3O3S and molecular weight 395.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: A4000/0170487, 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(3-CHLORO-4-FLUOROPHENYL)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C17H15ClFN3O3S |
|---|---|
| Molecular Weight | 395.05 g/mol |
| LogP | 4.41519 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.05066 |
| Heavy Atoms | 26 |
| Complexity | 993.7231 |
Chemical Identifiers
| CAS Number | 879565-11-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2C3=CC(=C(C=C3)F)Cl |
Product Overview
4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 879565-11-4), with molecular formula C17H15ClFN3O3S and molecular weight 395.05 g/mol. IUPAC: 4-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.41519 indicates that 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-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 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 879565-11-4.
What is the molecular formula of 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is C17H15ClFN3O3S.
What is the molecular weight of 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 395.05 g/mol.
Where can I buy 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-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-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.