Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate
TL;DR: Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate (CAS 1002535-18-3) is a chemical compound with molecular formula C15H17F3N4O2S and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate
Also Known As: Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate, ethyl 2-[4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate, ethyl {[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetate, ethyl 2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate, [4-(1-Ethyl-3-methyl-1 H -pyrazol-4-yl)-6-trifluoromethyl-pyrimidin-2-ylsulfanyl]-acetic acid ethylester
| Molecular Formula | C15H17F3N4O2S |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 3.34242 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.10242 |
| Heavy Atoms | 25 |
| Complexity | 761.7201 |
Chemical Identifiers
| CAS Number | 1002535-18-3 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C)C2=CC(=NC(=N2)SCC(=O)OCC)C(F)(F)F |
Product Overview
Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate (CAS 1002535-18-3), with molecular formula C15H17F3N4O2S and molecular weight 374.10 g/mol. IUPAC: ethyl 2-[4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate.
Chemical Property Profile of Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate
Property Insights of Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate
The XLogP value of 3.34242 indicates that Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate 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 Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate?
The CAS number of Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate is 1002535-18-3.
What is the molecular formula of Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate?
The molecular formula of Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate is C15H17F3N4O2S.
What is the molecular weight of Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate?
The molecular weight of Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate is 374.10 g/mol.
Where can I buy Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate?
You can request a quote for Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.