Ethyl (5-bromobenzofuran)-2-carboxylate
TL;DR: Ethyl (5-bromobenzofuran)-2-carboxylate (CAS 85476-90-0) is a chemical compound with molecular formula C11H9BrO3 and molecular weight 267.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-bromo-1-benzofuran-2-carboxylate
Also Known As: Ethyl 5-bromobenzofuran-2-carboxylate, ethyl 5-bromo-1-benzofuran-2-carboxylate, ethyl (5-bromobenzofuran)-2-carboxylate, Ethyl(5-bromobenzofuran)-2-carboxylate, ethylbromobenzofurancarboxylate
| Molecular Formula | C11H9BrO3 |
|---|---|
| Molecular Weight | 267.97 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.9735 |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 85476-90-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(O1)C=CC(=C2)Br |
| InChIKey | XLJWAHXKBCDQNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (5-bromobenzofuran)-2-carboxylate (CAS 85476-90-0), with molecular formula C11H9BrO3 and molecular weight 267.97 g/mol. IUPAC: ethyl 5-bromo-1-benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl (5-bromobenzofuran)-2-carboxylate
Property Insights of Ethyl (5-bromobenzofuran)-2-carboxylate
The XLogP value of 3.6 indicates that Ethyl (5-bromobenzofuran)-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, Ethyl (5-bromobenzofuran)-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (5-bromobenzofuran)-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 (5-bromobenzofuran)-2-carboxylate?
The CAS number of Ethyl (5-bromobenzofuran)-2-carboxylate is 85476-90-0.
What is the molecular formula of Ethyl (5-bromobenzofuran)-2-carboxylate?
The molecular formula of Ethyl (5-bromobenzofuran)-2-carboxylate is C11H9BrO3.
What is the molecular weight of Ethyl (5-bromobenzofuran)-2-carboxylate?
The molecular weight of Ethyl (5-bromobenzofuran)-2-carboxylate is 267.97 g/mol.
Where can I buy Ethyl (5-bromobenzofuran)-2-carboxylate?
You can request a quote for Ethyl (5-bromobenzofuran)-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 (5-bromobenzofuran)-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (5-bromobenzofuran)-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.