Ethyl 3-(allylsulfanyl)propanoate
TL;DR: Ethyl 3-(allylsulfanyl)propanoate (CAS 23246-24-4) is a chemical compound with molecular formula C8H14O2S and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-prop-2-enylsulfanylpropanoate
Also Known As: Ethyl 3-(allylsulfanyl)propanoate, ethyl 3-(allylthio)propanoate, ethyl 3-prop-2-enylsulfanylpropanoate, 3-(Allylthio)propionic acid ethyl ester, Ethyl 3-(allylsulfanyl)propanoate #
| Molecular Formula | C8H14O2S |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.07146 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 23246-24-4 |
|---|---|
| SMILES | CCOC(=O)CCSCC=C |
| InChIKey | DLTHARKJTBXQQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(allylsulfanyl)propanoate (CAS 23246-24-4), with molecular formula C8H14O2S and molecular weight 174.07 g/mol. IUPAC: ethyl 3-prop-2-enylsulfanylpropanoate.
Chemical Property Profile of Ethyl 3-(allylsulfanyl)propanoate
Property Insights of Ethyl 3-(allylsulfanyl)propanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(allylsulfanyl)propanoate. With a topological polar surface area (TPSA) of 51.6 Ų, Ethyl 3-(allylsulfanyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(allylsulfanyl)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-(allylsulfanyl)propanoate?
The CAS number of Ethyl 3-(allylsulfanyl)propanoate is 23246-24-4.
What is the molecular formula of Ethyl 3-(allylsulfanyl)propanoate?
The molecular formula of Ethyl 3-(allylsulfanyl)propanoate is C8H14O2S.
What is the molecular weight of Ethyl 3-(allylsulfanyl)propanoate?
The molecular weight of Ethyl 3-(allylsulfanyl)propanoate is 174.07 g/mol.
Where can I buy Ethyl 3-(allylsulfanyl)propanoate?
You can request a quote for Ethyl 3-(allylsulfanyl)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-(allylsulfanyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(allylsulfanyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.