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Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate
TL;DR: Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate (CAS 1007237-36-6) is a chemical compound with molecular formula C11H12F3NO3S and molecular weight 295.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]propanoate
Also Known As: 5M-545S, Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate, ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfinyl}propanoate, ethyl 2-{[5-(trifluoromethyl)pyridin-2-yl]sulfinyl}propanoate, Propanoic acid, 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]-, ethyl ester
| Molecular Formula | C11H12F3NO3S |
|---|---|
| Molecular Weight | 295.05 g/mol |
| LogP | 2.1596 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.049 |
| Heavy Atoms | 19 |
| Complexity | 473.0689 |
Chemical Identifiers
| CAS Number | 1007237-36-6 |
|---|---|
| SMILES | CCOC(=O)C(C)S(=O)C1=NC=C(C=C1)C(F)(F)F |
Product Overview
Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate (CAS 1007237-36-6), with molecular formula C11H12F3NO3S and molecular weight 295.05 g/mol. IUPAC: ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]propanoate.
Chemical Property Profile of Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate
Property Insights of Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate
The XLogP value of 2.1596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate. With a topological polar surface area (TPSA) of 56.26 Ų, Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate has 0 hydrogen bond donor(s) and 4 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-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate?
The CAS number of Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate is 1007237-36-6.
What is the molecular formula of Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate?
The molecular formula of Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate is C11H12F3NO3S.
What is the molecular weight of Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate?
The molecular weight of Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate is 295.05 g/mol.
Where can I buy Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate?
You can request a quote for Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate 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-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfinylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.