4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 722465-65-8) is a chemical compound with molecular formula C16H14FN3O2S and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol, 4-(2-Fluoro-phenyl)-5-(4-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol, 4-(2-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione, 4-(2-fluorophenyl)-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, 4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-2H-1,2,4-triazole-3-thione
| Molecular Formula | C16H14FN3O2S |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 3.65659 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.07907 |
| Heavy Atoms | 23 |
| Complexity | 858.26196 |
Chemical Identifiers
| CAS Number | 722465-65-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=CC=C3F |
Product Overview
4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 722465-65-8), with molecular formula C16H14FN3O2S and molecular weight 331.08 g/mol. IUPAC: 4-(2-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.65659 indicates that 4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-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-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-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-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol is 722465-65-8.
What is the molecular formula of 4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol is C16H14FN3O2S.
What is the molecular weight of 4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol is 331.08 g/mol.
Where can I buy 4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-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-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-fluorophenyl)-5-(4-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.