Ethyl 2-methoxy-4-(methylthio)benzoate
TL;DR: Ethyl 2-methoxy-4-(methylthio)benzoate (CAS 288154-98-3) is a chemical compound with molecular formula C11H14O3S and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methoxy-4-methylsulfanylbenzoate
Also Known As: ethyl 2-methoxy-4-(methylthio)benzoate, TimTec1_000862, ethyl 2-methoxy-4-methylsulfanylbenzoate, ethyl 2-methoxy-4-methylthiobenzoate, ethyl 2-methoxy-4-(methylsulfanyl)benzoate
| Molecular Formula | C11H14O3S |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.06636 |
| Heavy Atoms | 15 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 288154-98-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(C=C1)SC)OC |
| InChIKey | RLAOLSFGNWRDJW-UHFFFAOYSA-N |
Product Overview
Ethyl 2-methoxy-4-(methylthio)benzoate (CAS 288154-98-3), with molecular formula C11H14O3S and molecular weight 226.07 g/mol. IUPAC: ethyl 2-methoxy-4-methylsulfanylbenzoate.
Chemical Property Profile of Ethyl 2-methoxy-4-(methylthio)benzoate
Property Insights of Ethyl 2-methoxy-4-(methylthio)benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methoxy-4-(methylthio)benzoate. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methoxy-4-(methylthio)benzoate. Following Lipinski's Rule of Five, Ethyl 2-methoxy-4-(methylthio)benzoate has 0 hydrogen bond donor(s) and 4 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 2-methoxy-4-(methylthio)benzoate?
The CAS number of Ethyl 2-methoxy-4-(methylthio)benzoate is 288154-98-3.
What is the molecular formula of Ethyl 2-methoxy-4-(methylthio)benzoate?
The molecular formula of Ethyl 2-methoxy-4-(methylthio)benzoate is C11H14O3S.
What is the molecular weight of Ethyl 2-methoxy-4-(methylthio)benzoate?
The molecular weight of Ethyl 2-methoxy-4-(methylthio)benzoate is 226.07 g/mol.
Where can I buy Ethyl 2-methoxy-4-(methylthio)benzoate?
You can request a quote for Ethyl 2-methoxy-4-(methylthio)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methoxy-4-(methylthio)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methoxy-4-(methylthio)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.