Ethyl 3-phenylthiopropionate
TL;DR: Ethyl 3-phenylthiopropionate (CAS 60805-64-3) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-phenylsulfanylpropanoate
Also Known As: Ethyl 3-phenylthiopropionate, ethyl 3-phenylsulfanylpropanoate, Ethyl 3-(phenylthio)propanoate, ethyl 3-(phenylsulfanyl)propanoate, ethyl 3-(phenylthio)propionate
| Molecular Formula | C11H14O2S |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 210.07146 |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 60805-64-3 |
|---|---|
| SMILES | CCOC(=O)CCSC1=CC=CC=C1 |
| InChIKey | PEPOQQRRKLMLJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-phenylthiopropionate (CAS 60805-64-3), with molecular formula C11H14O2S and molecular weight 210.07 g/mol. IUPAC: ethyl 3-phenylsulfanylpropanoate.
Chemical Property Profile of Ethyl 3-phenylthiopropionate
Property Insights of Ethyl 3-phenylthiopropionate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-phenylthiopropionate. With a topological polar surface area (TPSA) of 51.6 Ų, Ethyl 3-phenylthiopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-phenylthiopropionate 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-phenylthiopropionate?
The CAS number of Ethyl 3-phenylthiopropionate is 60805-64-3.
What is the molecular formula of Ethyl 3-phenylthiopropionate?
The molecular formula of Ethyl 3-phenylthiopropionate is C11H14O2S.
What is the molecular weight of Ethyl 3-phenylthiopropionate?
The molecular weight of Ethyl 3-phenylthiopropionate is 210.07 g/mol.
Where can I buy Ethyl 3-phenylthiopropionate?
You can request a quote for Ethyl 3-phenylthiopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-phenylthiopropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-phenylthiopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.