![4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/1005/1005159-77-2.webp)
4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 1005159-77-2) is a chemical compound with molecular formula C18H22FN3OS and molecular weight 347.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[(2-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol, AB00713327-01, 4-(1-Bicyclo[2.2.1]hept-2-yl-ethyl)-5-(2-fluoro-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol, 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-[(2-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol, 4-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[(2-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C18H22FN3OS |
|---|---|
| Molecular Weight | 347.15 g/mol |
| LogP | 4.65599 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.14676 |
| Heavy Atoms | 24 |
| Complexity | 786.5662 |
Chemical Identifiers
| CAS Number | 1005159-77-2 |
|---|---|
| SMILES | CC(C1CC2CCC1C2)N3C(=NNC3=S)COC4=CC=CC=C4F |
Product Overview
4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 1005159-77-2), with molecular formula C18H22FN3OS and molecular weight 347.15 g/mol. IUPAC: 4-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[(2-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.65599 indicates that 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-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 42.84 Ų, 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-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-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol is 1005159-77-2.
What is the molecular formula of 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol is C18H22FN3OS.
What is the molecular weight of 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol is 347.15 g/mol.
Where can I buy 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-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-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.