![4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol structure](/static/products/879/879778-99-1.png)
4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol (CAS 879778-99-1) is a chemical compound with molecular formula C18H20FN3S and molecular weight 329.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-adamantyl)-4-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: AB01322310-02, 3-(1-adamantyl)-4-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione, 4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol, 5-adamantanyl-4-(2-fluorophenyl)-1,2,4-triazole-3-thiol, A3930/0167258
| Molecular Formula | C18H20FN3S |
|---|---|
| Molecular Weight | 329.14 g/mol |
| LogP | 4.53679 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.1362 |
| Heavy Atoms | 23 |
| Complexity | 786.38513 |
Chemical Identifiers
| CAS Number | 879778-99-1 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4C5=CC=CC=C5F |
Product Overview
4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol (CAS 879778-99-1), with molecular formula C18H20FN3S and molecular weight 329.14 g/mol. IUPAC: 3-(1-adamantyl)-4-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.53679 indicates that 4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-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 33.61 Ų, 4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-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-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 2 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-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol is 879778-99-1.
What is the molecular formula of 4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol is C18H20FN3S.
What is the molecular weight of 4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol is 329.14 g/mol.
Where can I buy 4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-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-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-fluorophenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.