![4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine structure](/static/products/898/898652-96-5.png)
4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine
TL;DR: 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine (CAS 898652-96-5) is a chemical compound with molecular formula C15H13F3N6S and molecular weight 366.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methylsulfanyl]pyrimidine
Also Known As: 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine, 4,6-dimethyl-2-(((1-(3-(trifluoromethyl)phenyl)-1H-tetrazol-5-yl)methyl)thio)pyrimidine, 4,6-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methylsulfanyl]pyrimidine, 4,6-dimethyl-2-({1-[3-(trifluoromethyl)phenyl](1,2,3,4-tetraazol-5-yl)}methylt hio)pyrimidine
| Molecular Formula | C15H13F3N6S |
|---|---|
| Molecular Weight | 366.09 g/mol |
| LogP | 3.38024 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.08746 |
| Heavy Atoms | 25 |
| Complexity | 872.7184 |
Chemical Identifiers
| CAS Number | 898652-96-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=NN=NN2C3=CC=CC(=C3)C(F)(F)F)C |
Product Overview
4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine (CAS 898652-96-5), with molecular formula C15H13F3N6S and molecular weight 366.09 g/mol. IUPAC: 4,6-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methylsulfanyl]pyrimidine.
Chemical Property Profile of 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine
Property Insights of 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine
The XLogP value of 3.38024 indicates that 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine. Following Lipinski's Rule of Five, 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine has 0 hydrogen bond donor(s) and 6 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 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine?
The CAS number of 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine is 898652-96-5.
What is the molecular formula of 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine?
The molecular formula of 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine is C15H13F3N6S.
What is the molecular weight of 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine?
The molecular weight of 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine is 366.09 g/mol.
Where can I buy 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine?
You can request a quote for 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-dimethyl-2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.