![2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine structure](/static/products/4391/439107-82-1.webp)
2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
TL;DR: 2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine (CAS 439107-82-1) is a chemical compound with molecular formula C13H9F3N4S and molecular weight 310.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-7-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: 2-(methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine, 2-methylsulfanyl-7-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine, 2-(methylsulfanyl)-7-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C13H9F3N4S |
|---|---|
| Molecular Weight | 310.05 g/mol |
| LogP | 3.532 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.05 |
| Heavy Atoms | 21 |
| Complexity | 783.2059 |
Chemical Identifiers
| CAS Number | 439107-82-1 |
|---|---|
| SMILES | CSC1=NN2C(=CC(=NC2=N1)C(F)(F)F)C3=CC=CC=C3 |
Product Overview
2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine (CAS 439107-82-1), with molecular formula C13H9F3N4S and molecular weight 310.05 g/mol. IUPAC: 2-methylsulfanyl-7-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of 2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
Property Insights of 2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
The XLogP value of 3.532 indicates that 2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, 2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine has 0 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 2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine?
The CAS number of 2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine is 439107-82-1.
What is the molecular formula of 2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine?
The molecular formula of 2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine is C13H9F3N4S.
What is the molecular weight of 2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine?
The molecular weight of 2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine is 310.05 g/mol.
Where can I buy 2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine?
You can request a quote for 2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfanyl)-7-phenyl-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.