Bionet1_004704
TL;DR: Bionet1_004704 (CAS 439112-28-4) is a chemical compound with molecular formula C16H15F3N4S and molecular weight 352.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-2-methylsulfanyl-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: Bionet1_004704, 8R-0823, 5,7-dimethyl-2-(methylsulfanyl)-6-[3-(trifluoromethyl)benzyl][1,2,4]triazolo[1,5-a]pyrimidine, 5,7-dimethyl-2-(methylsulfanyl)-6-{[3-(trifluoromethyl)phenyl]methyl}-[1,2,4]triazolo[1,5-a]pyrimidine, 5,7-dimethyl-2-methylsulfanyl-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C16H15F3N4S |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 4.07264 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.09695 |
| Heavy Atoms | 24 |
| Complexity | 902.2093 |
Chemical Identifiers
| CAS Number | 439112-28-4 |
|---|---|
| SMILES | CC1=C(C(=NC2=NC(=NN12)SC)C)CC3=CC(=CC=C3)C(F)(F)F |
Product Overview
Bionet1_004704 (CAS 439112-28-4), with molecular formula C16H15F3N4S and molecular weight 352.10 g/mol. IUPAC: 5,7-dimethyl-2-methylsulfanyl-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of Bionet1_004704
Property Insights of Bionet1_004704
The XLogP value of 4.07264 indicates that Bionet1_004704 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, Bionet1_004704 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004704 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 Bionet1_004704?
The CAS number of Bionet1_004704 is 439112-28-4.
What is the molecular formula of Bionet1_004704?
The molecular formula of Bionet1_004704 is C16H15F3N4S.
What is the molecular weight of Bionet1_004704?
The molecular weight of Bionet1_004704 is 352.10 g/mol.
Where can I buy Bionet1_004704?
You can request a quote for Bionet1_004704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004704?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.