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Ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate
TL;DR: Ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate (CAS 555154-27-3) is a chemical compound with molecular formula C12H12O4S2 and molecular weight 284.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-4-hydroxy-3-methylthieno[2,3-b]thiophene-5-carboxylate
Also Known As: ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate, J1.907.333E, 6X-0922, ethyl 2-acetyl-4-hydroxy-3-methylthieno[2,3-b]thiophene-5-carboxylate, (5Z)-2-acetyl-5-[ethoxy(hydroxy)methylidene]-3-methylthieno[2,3-b]thiophen-4-one
| Molecular Formula | C12H12O4S2 |
|---|---|
| Molecular Weight | 284.02 g/mol |
| LogP | 3.35612 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0177 |
| Heavy Atoms | 18 |
| Complexity | 636.0722 |
Chemical Identifiers
| CAS Number | 555154-27-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)SC(=C2C)C(=O)C)O |
Product Overview
Ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate (CAS 555154-27-3), with molecular formula C12H12O4S2 and molecular weight 284.02 g/mol. IUPAC: ethyl 2-acetyl-4-hydroxy-3-methylthieno[2,3-b]thiophene-5-carboxylate.
Chemical Property Profile of Ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate
Property Insights of Ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate
The XLogP value of 3.35612 indicates that Ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 6 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 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate?
The CAS number of Ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate is 555154-27-3.
What is the molecular formula of Ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate?
The molecular formula of Ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate is C12H12O4S2.
What is the molecular weight of Ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate?
The molecular weight of Ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate is 284.02 g/mol.
Where can I buy Ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate?
You can request a quote for Ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]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 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-acetyl-3-hydroxy-4-methylthieno[2,3-b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.