Methyl 2-(1-benzothiophen-3-yl)acetate
TL;DR: Methyl 2-(1-benzothiophen-3-yl)acetate (CAS 7597-67-3) 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-3-yl)acetate
Also Known As: methyl 2-(1-benzothiophen-3-yl)acetate, methyl 3-benzothienylacetate, methyl benzothiophene-3-acetate, methyl 1-benzothiophen-3-ylacetate, methyl benz[b]thiophen-3-ylacetate
| Molecular Formula | C11H10O2S |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.04015 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 7597-67-3 |
|---|---|
| SMILES | COC(=O)CC1=CSC2=CC=CC=C21 |
| InChIKey | ODKSYEYDLVKYNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(1-benzothiophen-3-yl)acetate (CAS 7597-67-3), with molecular formula C11H10O2S and molecular weight 206.04 g/mol. IUPAC: methyl 2-(1-benzothiophen-3-yl)acetate.
Chemical Property Profile of Methyl 2-(1-benzothiophen-3-yl)acetate
Property Insights of Methyl 2-(1-benzothiophen-3-yl)acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1-benzothiophen-3-yl)acetate. With a topological polar surface area (TPSA) of 54.5 Ų, Methyl 2-(1-benzothiophen-3-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(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 Methyl 2-(1-benzothiophen-3-yl)acetate?
The CAS number of Methyl 2-(1-benzothiophen-3-yl)acetate is 7597-67-3.
What is the molecular formula of Methyl 2-(1-benzothiophen-3-yl)acetate?
The molecular formula of Methyl 2-(1-benzothiophen-3-yl)acetate is C11H10O2S.
What is the molecular weight of Methyl 2-(1-benzothiophen-3-yl)acetate?
The molecular weight of Methyl 2-(1-benzothiophen-3-yl)acetate is 206.04 g/mol.
Where can I buy Methyl 2-(1-benzothiophen-3-yl)acetate?
You can request a quote for Methyl 2-(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 Methyl 2-(1-benzothiophen-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1-benzothiophen-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.