Ethyl 3-ethylsulfanylpropanoate
TL;DR: Ethyl 3-ethylsulfanylpropanoate (CAS 61473-90-3) is a chemical compound with molecular formula C7H14O2S and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-ethylsulfanylpropanoate
Also Known As: ethyl 3-ethylsulfanylpropanoate, ethyl 3-(ethylsulfanyl)propanoate, ethyl 3-(ethylthio)propanoate, ethyl S-ethyl-b-thiopropionate, 3-(Ethylthio)propionic acid ethyl ester
| Molecular Formula | C7H14O2S |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.07146 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 61473-90-3 |
|---|---|
| SMILES | CCOC(=O)CCSCC |
| InChIKey | CKNLDEDBQQHFAX-UHFFFAOYSA-N |
Product Overview
Ethyl 3-ethylsulfanylpropanoate (CAS 61473-90-3), with molecular formula C7H14O2S and molecular weight 162.07 g/mol. IUPAC: ethyl 3-ethylsulfanylpropanoate.
Chemical Property Profile of Ethyl 3-ethylsulfanylpropanoate
Property Insights of Ethyl 3-ethylsulfanylpropanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-ethylsulfanylpropanoate. With a topological polar surface area (TPSA) of 51.6 Ų, Ethyl 3-ethylsulfanylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-ethylsulfanylpropanoate 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-ethylsulfanylpropanoate?
The CAS number of Ethyl 3-ethylsulfanylpropanoate is 61473-90-3.
What is the molecular formula of Ethyl 3-ethylsulfanylpropanoate?
The molecular formula of Ethyl 3-ethylsulfanylpropanoate is C7H14O2S.
What is the molecular weight of Ethyl 3-ethylsulfanylpropanoate?
The molecular weight of Ethyl 3-ethylsulfanylpropanoate is 162.07 g/mol.
Where can I buy Ethyl 3-ethylsulfanylpropanoate?
You can request a quote for Ethyl 3-ethylsulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-ethylsulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-ethylsulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.