Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)propanoate
TL;DR: Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)propanoate (CAS 339101-35-8) is a chemical compound with molecular formula C16H15F3N2O2S and molecular weight 356.08 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]sulfanylpropanoate
Also Known As: 8J-503S, Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)propanoate, ethyl 2-({5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}sulfanyl)propanoate, ethyl 2-({5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl}sulfanyl)propanoate, ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylpropanoate
| Molecular Formula | C16H15F3N2O2S |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 4.2061 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.08063 |
| Heavy Atoms | 24 |
| Complexity | 705.21387 |
Chemical Identifiers
| CAS Number | 339101-35-8 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC=C(C=N1)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)propanoate (CAS 339101-35-8), with molecular formula C16H15F3N2O2S and molecular weight 356.08 g/mol. IUPAC: ethyl 2-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]sulfanylpropanoate.
Chemical Property Profile of Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)propanoate
Property Insights of Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)propanoate
The XLogP value of 4.2061 indicates that Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)propanoate 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)-2-pyrimidinyl)sulfanyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)propanoate 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)-2-pyrimidinyl)sulfanyl)propanoate?
The CAS number of Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)propanoate is 339101-35-8.
What is the molecular formula of Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)propanoate?
The molecular formula of Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)propanoate is C16H15F3N2O2S.
What is the molecular weight of Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)propanoate?
The molecular weight of Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)propanoate is 356.08 g/mol.
Where can I buy Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)propanoate?
You can request a quote for Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)propanoate 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)-2-pyrimidinyl)sulfanyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.