Ethyl (1-benzothiophen-3-yl)acetate
TL;DR: Ethyl (1-benzothiophen-3-yl)acetate (CAS 7597-68-4) is a chemical compound with molecular formula C12H12O2S and molecular weight 220.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-benzothiophen-3-yl)acetate
Also Known As: ethyl 2-(1-benzothiophen-3-yl)acetate, ETHYL2- ACETATE, ethyl 2-(benzo[b]thiophen-3-yl)acetate, ethyl 1-benzothien-3-ylacetate, Ethyl (1-benzothiophen-3-yl)acetate
| Molecular Formula | C12H12O2S |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.0558 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 7597-68-4 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC2=CC=CC=C21 |
| InChIKey | QAJKYZFZTOKLRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (1-benzothiophen-3-yl)acetate (CAS 7597-68-4), with molecular formula C12H12O2S and molecular weight 220.06 g/mol. IUPAC: ethyl 2-(1-benzothiophen-3-yl)acetate.
Chemical Property Profile of Ethyl (1-benzothiophen-3-yl)acetate
Property Insights of Ethyl (1-benzothiophen-3-yl)acetate
The XLogP value of 3.1 indicates that Ethyl (1-benzothiophen-3-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, Ethyl (1-benzothiophen-3-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (1-benzothiophen-3-yl)acetate 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 (1-benzothiophen-3-yl)acetate?
The CAS number of Ethyl (1-benzothiophen-3-yl)acetate is 7597-68-4.
What is the molecular formula of Ethyl (1-benzothiophen-3-yl)acetate?
The molecular formula of Ethyl (1-benzothiophen-3-yl)acetate is C12H12O2S.
What is the molecular weight of Ethyl (1-benzothiophen-3-yl)acetate?
The molecular weight of Ethyl (1-benzothiophen-3-yl)acetate is 220.06 g/mol.
Where can I buy Ethyl (1-benzothiophen-3-yl)acetate?
You can request a quote for Ethyl (1-benzothiophen-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (1-benzothiophen-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (1-benzothiophen-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.