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Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate
TL;DR: Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate (CAS 339101-32-5) is a chemical compound with molecular formula C15H13F3N2O2S and molecular weight 342.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate
Also Known As: 8J-502S, ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate, Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)acetate, ethyl 2-({5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl}sulfanyl)acetate, ethyl 2-({5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}sulfanyl)acetate
| Molecular Formula | C15H13F3N2O2S |
|---|---|
| Molecular Weight | 342.06 g/mol |
| LogP | 3.8176 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.06497 |
| Heavy Atoms | 23 |
| Complexity | 675.16736 |
Chemical Identifiers
| CAS Number | 339101-32-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC=C(C=N1)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate (CAS 339101-32-5), with molecular formula C15H13F3N2O2S and molecular weight 342.06 g/mol. IUPAC: ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate.
Chemical Property Profile of Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate
Property Insights of Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate
The XLogP value of 3.8176 indicates that Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate has 0 hydrogen bond donor(s) and 5 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-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate?
The CAS number of Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate is 339101-32-5.
What is the molecular formula of Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate?
The molecular formula of Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate is C15H13F3N2O2S.
What is the molecular weight of Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate?
The molecular weight of Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate is 342.06 g/mol.
Where can I buy Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate?
You can request a quote for Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.