Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate
TL;DR: Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate (CAS 74690-89-4) is a chemical compound with molecular formula C11H14O3S2 and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxylate
Also Known As: Vibsanin C, Maybridge1_004480, ETHYL 4-ACETYL-3-METHYL-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLATE, ethyl 4-acetyl-3-methyl-5-(methylsulfanyl)thiophene-2-carboxylate, ethyl 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxylate
| Molecular Formula | C11H14O3S2 |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.03842 |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 74690-89-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)SC)C(=O)C)C |
| InChIKey | QBWHYBOPMHDWHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate (CAS 74690-89-4), with molecular formula C11H14O3S2 and molecular weight 258.04 g/mol. IUPAC: ethyl 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate
Property Insights of Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate
The XLogP value of 3.0 indicates that Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 5 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 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate?
The CAS number of Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate is 74690-89-4.
What is the molecular formula of Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate?
The molecular formula of Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate is C11H14O3S2.
What is the molecular weight of Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate?
The molecular weight of Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate is 258.04 g/mol.
Where can I buy Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate?
You can request a quote for Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.