![4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol structure](/static/products/878/878418-91-8.png)
4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 878418-91-8) is a chemical compound with molecular formula C14H12FN5S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(4-fluorophenyl)ethyl]-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 12915076, AB01319955-02, A3929/0167251, 4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-[(4-fluorophenyl)ethyl]-5-pyrazin-2-yl-1,2,4-triazole-3-thiol
| Molecular Formula | C14H12FN5S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 3.14609 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.07974 |
| Heavy Atoms | 21 |
| Complexity | 794.23663 |
Chemical Identifiers
| CAS Number | 878418-91-8 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)F)N2C(=NNC2=S)C3=NC=CN=C3 |
Product Overview
4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 878418-91-8), with molecular formula C14H12FN5S and molecular weight 301.08 g/mol. IUPAC: 4-[1-(4-fluorophenyl)ethyl]-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.14609 indicates that 4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-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 59.39 Ų, 4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-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-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol is 878418-91-8.
What is the molecular formula of 4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol is C14H12FN5S.
What is the molecular weight of 4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol is 301.08 g/mol.
Where can I buy 4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-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-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[1-(4-fluorophenyl)ethyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.