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Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate
TL;DR: Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate (CAS 338962-51-9) is a chemical compound with molecular formula C11H12F3NO4S and molecular weight 311.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanoate
Also Known As: ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate, ethyl 2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanoate, ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylpropanoate, ethyl 2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]propanoate, ethyl2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanoate
| Molecular Formula | C11H12F3NO4S |
|---|---|
| Molecular Weight | 311.04 g/mol |
| LogP | 1.8257 |
| Topological Polar Surface Area | 73.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0439 |
| Heavy Atoms | 20 |
| Complexity | 580.68097 |
Chemical Identifiers
| CAS Number | 338962-51-9 |
|---|---|
| SMILES | CCOC(=O)C(C)S(=O)(=O)C1=NC=C(C=C1)C(F)(F)F |
Product Overview
Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate (CAS 338962-51-9), with molecular formula C11H12F3NO4S and molecular weight 311.04 g/mol. IUPAC: ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanoate.
Chemical Property Profile of Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate
Property Insights of Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate
The XLogP value of 1.8257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate. The TPSA of 73.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate. Following Lipinski's Rule of Five, Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}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-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate?
The CAS number of Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate is 338962-51-9.
What is the molecular formula of Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate?
The molecular formula of Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate is C11H12F3NO4S.
What is the molecular weight of Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate?
The molecular weight of Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate is 311.04 g/mol.
Where can I buy Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate?
You can request a quote for Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}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-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.