Ethyl 3-((4-methylphenyl)thio)propionate
TL;DR: Ethyl 3-((4-methylphenyl)thio)propionate (CAS 85169-05-7) is a chemical compound with molecular formula C12H16O2S and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-methylphenyl)sulfanylpropanoate
Also Known As: Ethyl 3-((4-methylphenyl)thio)propionate, EINECS 285-949-0, ethyl 3-(4-methylphenyl)sulfanylpropanoate, Ethyl 3-(p-tolylthio)propanoate, Ethyl 3-[(4-methylphenyl)thio]propanoate
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 3.04032 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.0871 |
| Heavy Atoms | 15 |
| Complexity | 305.90308 |
Chemical Identifiers
| CAS Number | 85169-05-7 |
|---|---|
| SMILES | CCOC(=O)CCSC1=CC=C(C=C1)C |
Product Overview
Ethyl 3-((4-methylphenyl)thio)propionate (CAS 85169-05-7), with molecular formula C12H16O2S and molecular weight 224.09 g/mol. IUPAC: ethyl 3-(4-methylphenyl)sulfanylpropanoate.
Chemical Property Profile of Ethyl 3-((4-methylphenyl)thio)propionate
Property Insights of Ethyl 3-((4-methylphenyl)thio)propionate
The XLogP value of 3.04032 indicates that Ethyl 3-((4-methylphenyl)thio)propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-((4-methylphenyl)thio)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-((4-methylphenyl)thio)propionate 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-methylphenyl)thio)propionate?
The CAS number of Ethyl 3-((4-methylphenyl)thio)propionate is 85169-05-7.
What is the molecular formula of Ethyl 3-((4-methylphenyl)thio)propionate?
The molecular formula of Ethyl 3-((4-methylphenyl)thio)propionate is C12H16O2S.
What is the molecular weight of Ethyl 3-((4-methylphenyl)thio)propionate?
The molecular weight of Ethyl 3-((4-methylphenyl)thio)propionate is 224.09 g/mol.
Where can I buy Ethyl 3-((4-methylphenyl)thio)propionate?
You can request a quote for Ethyl 3-((4-methylphenyl)thio)propionate 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-methylphenyl)thio)propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-((4-methylphenyl)thio)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.