Ethyl 1-benzofuran-2-carboxylate
TL;DR: Ethyl 1-benzofuran-2-carboxylate (CAS 3199-61-9) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzofuran-2-carboxylate
Also Known As: Ethyl Benzofuran-2-carboxylate, Ethyl coumarilate, ethyl 1-benzofuran-2-carboxylate, Ethyl 2-benzofurancarboxylate, 2-Benzofurancarboxylic acid ethyl ester
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 3199-61-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=CC=CC=C2O1 |
| InChIKey | KAWQPOUWLVOHKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-benzofuran-2-carboxylate (CAS 3199-61-9), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: ethyl 1-benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl 1-benzofuran-2-carboxylate
Property Insights of Ethyl 1-benzofuran-2-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-benzofuran-2-carboxylate. With a topological polar surface area (TPSA) of 39.4 Ų, Ethyl 1-benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-benzofuran-2-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-benzofuran-2-carboxylate?
The CAS number of Ethyl 1-benzofuran-2-carboxylate is 3199-61-9.
What is the molecular formula of Ethyl 1-benzofuran-2-carboxylate?
The molecular formula of Ethyl 1-benzofuran-2-carboxylate is C11H10O3.
What is the molecular weight of Ethyl 1-benzofuran-2-carboxylate?
The molecular weight of Ethyl 1-benzofuran-2-carboxylate is 190.06 g/mol.
Where can I buy Ethyl 1-benzofuran-2-carboxylate?
You can request a quote for Ethyl 1-benzofuran-2-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-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.