Ethyl 1-benzothiophene-3-carboxylate
TL;DR: Ethyl 1-benzothiophene-3-carboxylate (CAS 19156-49-1) 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.
ethyl 1-benzothiophene-3-carboxylate
Also Known As: ethyl 1-benzothiophene-3-carboxylate, ethyl benzo[b]thiophene-3-carboxylate, Ethyl Benzothiophene-3-carboxylate, ethylbenzo[b]thiophene-3-carboxylate, J1.181.563D
| Molecular Formula | C11H10O2S |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | 3.078 |
| 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 | 459.0104 |
Chemical Identifiers
| CAS Number | 19156-49-1 |
|---|---|
| SMILES | CCOC(=O)C1=CSC2=CC=CC=C21 |
Product Overview
Ethyl 1-benzothiophene-3-carboxylate (CAS 19156-49-1), with molecular formula C11H10O2S and molecular weight 206.04 g/mol. IUPAC: ethyl 1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 1-benzothiophene-3-carboxylate
Property Insights of Ethyl 1-benzothiophene-3-carboxylate
The XLogP value of 3.078 indicates that Ethyl 1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 1-benzothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-benzothiophene-3-carboxylate 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-benzothiophene-3-carboxylate?
The CAS number of Ethyl 1-benzothiophene-3-carboxylate is 19156-49-1.
What is the molecular formula of Ethyl 1-benzothiophene-3-carboxylate?
The molecular formula of Ethyl 1-benzothiophene-3-carboxylate is C11H10O2S.
What is the molecular weight of Ethyl 1-benzothiophene-3-carboxylate?
The molecular weight of Ethyl 1-benzothiophene-3-carboxylate is 206.04 g/mol.
Where can I buy Ethyl 1-benzothiophene-3-carboxylate?
You can request a quote for Ethyl 1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.