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Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate
TL;DR: Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate (CAS 3859-55-0) is a chemical compound with molecular formula C15H14F3N3O2S and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methylsulfanyl-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate
Also Known As: ethyl 2-methylsulfanyl-4-[3-(trifluoromethyl)anilino]pyrimid, ethyl 2-methylsulfanyl-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate, Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate, ETHYL 2-(METHYLSULFANYL)-4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDINE-5-CARBOXYLATE, ETHYL 2-METHYLSULFANYL-4-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]PYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C15H14F3N3O2S |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.0759 |
| Heavy Atoms | 24 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 3859-55-0 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NC2=CC=CC(=C2)C(F)(F)F)SC |
| InChIKey | DIFPCMCAVPQNBD-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate (CAS 3859-55-0), with molecular formula C15H14F3N3O2S and molecular weight 357.08 g/mol. IUPAC: ethyl 2-methylsulfanyl-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate
Property Insights of Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate
The XLogP value of 4.6 indicates that Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 9 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)anilino]pyrimidine-5-carboxylate?
The CAS number of Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate is 3859-55-0.
What is the molecular formula of Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate?
The molecular formula of Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate is C15H14F3N3O2S.
What is the molecular weight of Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate?
The molecular weight of Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate is 357.08 g/mol.
Where can I buy Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate?
You can request a quote for Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate 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)anilino]pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(methylsulfanyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.