![5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine structure](/static/products/898/898652-99-8.png)
5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine
TL;DR: 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine (CAS 898652-99-8) is a chemical compound with molecular formula C16H13F3N8S and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-3-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrimidine
Also Known As: 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine, 5,7-dimethyl-3-(((1-(3-(trifluoromethyl)phenyl)-1H-tetrazol-5-yl)methyl)thio)-[1,2,4]triazolo[4,3-a]pyrimidine, 5,7-dimethyl-3-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrimidine, 5-[({5,7-DIMETHYL-[1,2,4]TRIAZOLO[4,3-A]PYRIMIDIN-3-YL}SULFANYL)METHYL]-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-1,2,3,4-TETRAZOLE
| Molecular Formula | C16H13F3N8S |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 3.02794 |
| Topological Polar Surface Area | 86.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.0936 |
| Heavy Atoms | 28 |
| Complexity | 1150.4558 |
Chemical Identifiers
| CAS Number | 898652-99-8 |
|---|---|
| SMILES | CC1=CC(=NC2=NN=C(N12)SCC3=NN=NN3C4=CC=CC(=C4)C(F)(F)F)C |
Product Overview
5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine (CAS 898652-99-8), with molecular formula C16H13F3N8S and molecular weight 406.09 g/mol. IUPAC: 5,7-dimethyl-3-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrimidine.
Chemical Property Profile of 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine
Property Insights of 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine
The XLogP value of 3.02794 indicates that 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine. Following Lipinski's Rule of Five, 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine has 0 hydrogen bond donor(s) and 7 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 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine?
The CAS number of 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine is 898652-99-8.
What is the molecular formula of 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine?
The molecular formula of 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine is C16H13F3N8S.
What is the molecular weight of 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine?
The molecular weight of 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine is 406.09 g/mol.
Where can I buy 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine?
You can request a quote for 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5,7-dimethyl-3-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.