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Ethyl 3-[(4-fluorophenyl)thio]propanoate
TL;DR: Ethyl 3-[(4-fluorophenyl)thio]propanoate (CAS 57247-34-4) is a chemical compound with molecular formula C11H13FO2S and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-fluorophenyl)sulfanylpropanoate
Also Known As: ethyl 3-[(4-fluorophenyl)thio]propanoate, Valerimidsaeure-methylester, ethyl 3-(4-fluorophenyl)sulfanylpropanoate, ETHYL3-[ THIO]PROPANOATE, Ethyl 3-((4-fluorophenyl)thio)propanoate
| Molecular Formula | C11H13FO2S |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 2.871 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.06203 |
| Heavy Atoms | 15 |
| Complexity | 310.8689 |
Chemical Identifiers
| CAS Number | 57247-34-4 |
|---|---|
| SMILES | CCOC(=O)CCSC1=CC=C(C=C1)F |
Product Overview
Ethyl 3-[(4-fluorophenyl)thio]propanoate (CAS 57247-34-4), with molecular formula C11H13FO2S and molecular weight 228.06 g/mol. IUPAC: ethyl 3-(4-fluorophenyl)sulfanylpropanoate.
Chemical Property Profile of Ethyl 3-[(4-fluorophenyl)thio]propanoate
Property Insights of Ethyl 3-[(4-fluorophenyl)thio]propanoate
The XLogP value of 2.871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(4-fluorophenyl)thio]propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-[(4-fluorophenyl)thio]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-[(4-fluorophenyl)thio]propanoate has 0 hydrogen bond donor(s) and 3 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 3-[(4-fluorophenyl)thio]propanoate?
The CAS number of Ethyl 3-[(4-fluorophenyl)thio]propanoate is 57247-34-4.
What is the molecular formula of Ethyl 3-[(4-fluorophenyl)thio]propanoate?
The molecular formula of Ethyl 3-[(4-fluorophenyl)thio]propanoate is C11H13FO2S.
What is the molecular weight of Ethyl 3-[(4-fluorophenyl)thio]propanoate?
The molecular weight of Ethyl 3-[(4-fluorophenyl)thio]propanoate is 228.06 g/mol.
Where can I buy Ethyl 3-[(4-fluorophenyl)thio]propanoate?
You can request a quote for Ethyl 3-[(4-fluorophenyl)thio]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(4-fluorophenyl)thio]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(4-fluorophenyl)thio]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.