![Methyl 2-benzo[b]thiophen-2-ylacetate structure](/static/products/854/85494-03-7.png)
Methyl 2-benzo[b]thiophen-2-ylacetate
TL;DR: Methyl 2-benzo[b]thiophen-2-ylacetate (CAS 85494-03-7) is a chemical compound with molecular formula C11H10O2S and molecular weight 206.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-benzothiophen-2-yl)acetate
Also Known As: methyl 2-(1-benzothiophen-2-yl)acetate, methyl 2-(3-benzothienyl)acetate, Methyl (1-benzothiophen-2-yl)acetate, methyl 2-benzo[b]thiophen-2-ylacetate, Benzo[b]thiophene-2-acetic acid methyl ester
| Molecular Formula | C11H10O2S |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | 2.6168 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.04015 |
| Heavy Atoms | 14 |
| Complexity | 426.0104 |
Chemical Identifiers
| CAS Number | 85494-03-7 |
|---|---|
| SMILES | COC(=O)CC1=CC2=CC=CC=C2S1 |
Product Overview
Methyl 2-benzo[b]thiophen-2-ylacetate (CAS 85494-03-7), with molecular formula C11H10O2S and molecular weight 206.04 g/mol. IUPAC: methyl 2-(1-benzothiophen-2-yl)acetate.
Chemical Property Profile of Methyl 2-benzo[b]thiophen-2-ylacetate
Property Insights of Methyl 2-benzo[b]thiophen-2-ylacetate
The XLogP value of 2.6168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-benzo[b]thiophen-2-ylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-benzo[b]thiophen-2-ylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-benzo[b]thiophen-2-ylacetate 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 Methyl 2-benzo[b]thiophen-2-ylacetate?
The CAS number of Methyl 2-benzo[b]thiophen-2-ylacetate is 85494-03-7.
What is the molecular formula of Methyl 2-benzo[b]thiophen-2-ylacetate?
The molecular formula of Methyl 2-benzo[b]thiophen-2-ylacetate is C11H10O2S.
What is the molecular weight of Methyl 2-benzo[b]thiophen-2-ylacetate?
The molecular weight of Methyl 2-benzo[b]thiophen-2-ylacetate is 206.04 g/mol.
Where can I buy Methyl 2-benzo[b]thiophen-2-ylacetate?
You can request a quote for Methyl 2-benzo[b]thiophen-2-ylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-benzo[b]thiophen-2-ylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-benzo[b]thiophen-2-ylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.