Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate
TL;DR: Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate (CAS 5612-69-1) is a chemical compound with molecular formula C11H16O3S and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(2-methylpropan-2-yl)oxy]thiophene-2-carboxylate
Also Known As: Ethyl 3-tert-butoxy-2-thiophenecarboxylate, Ethyl 3-tert-butoxythiophene-2-carboxylate, 2-Thiophenecarboxylic acid, 3-tert-butoxy-, ethyl ester, ethyl 3-(tert-butoxy)thiophene-2-carboxylate, Ethyl 3-tert-butoxy-2-thiophenecarboxylate #
| Molecular Formula | C11H16O3S |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.08202 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 5612-69-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CS1)OC(C)(C)C |
| InChIKey | AEJAWGJXWGTPFY-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate (CAS 5612-69-1), with molecular formula C11H16O3S and molecular weight 228.08 g/mol. IUPAC: ethyl 3-[(2-methylpropan-2-yl)oxy]thiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate
Property Insights of Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate
The XLogP value of 3.1 indicates that Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate 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 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate?
The CAS number of Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate is 5612-69-1.
What is the molecular formula of Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate?
The molecular formula of Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate is C11H16O3S.
What is the molecular weight of Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate?
The molecular weight of Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate is 228.08 g/mol.
Where can I buy Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate?
You can request a quote for Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1,1-dimethylethoxy)-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.