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Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate
TL;DR: Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate (CAS 551920-91-3) is a chemical compound with molecular formula C15H13F3N2O3S and molecular weight 358.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methylsulfanyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxylate
Also Known As: ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate, Ethyl 2-methylsulfanyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxylate, 5R-1167, ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxylate, ethyl2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxylate
| Molecular Formula | C15H13F3N2O3S |
|---|---|
| Molecular Weight | 358.06 g/mol |
| LogP | 4.1863 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.0599 |
| Heavy Atoms | 24 |
| Complexity | 738.1445 |
Chemical Identifiers
| CAS Number | 551920-91-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1OC2=CC=CC(=C2)C(F)(F)F)SC |
Product Overview
Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate (CAS 551920-91-3), with molecular formula C15H13F3N2O3S and molecular weight 358.06 g/mol. IUPAC: ethyl 2-methylsulfanyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate
Property Insights of Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate
The XLogP value of 4.1863 indicates that Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate 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-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate?
The CAS number of Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate is 551920-91-3.
What is the molecular formula of Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate is C15H13F3N2O3S.
What is the molecular weight of Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate is 358.06 g/mol.
Where can I buy Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)phenoxy]-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.