Methyl 3-(bromomethyl)-2-benzofurancarboxylate
TL;DR: Methyl 3-(bromomethyl)-2-benzofurancarboxylate (CAS 58763-73-8) 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.
methyl 3-(bromomethyl)-1-benzofuran-2-carboxylate
Also Known As: methyl 3-(bromomethyl)-1-benzofuran-2-carboxylate, Methyl 3-(bromomethyl)-2-benzofurancarboxylate, Methyl 3-(bromomethyl)benzofuran-2-carboxylate, methyl 3-bromomethylbenzofuran-2-carboxylate, Methyl 3- bromomethylbenzofuran-2-carboxylate
| Molecular Formula | C11H9BrO3 |
|---|---|
| Molecular Weight | 267.97 g/mol |
| LogP | 3.1 |
| 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 | 58763-73-8 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2O1)CBr |
| InChIKey | DUXQSFDZZHXQGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(bromomethyl)-2-benzofurancarboxylate (CAS 58763-73-8), with molecular formula C11H9BrO3 and molecular weight 267.97 g/mol. IUPAC: methyl 3-(bromomethyl)-1-benzofuran-2-carboxylate.
Chemical Property Profile of Methyl 3-(bromomethyl)-2-benzofurancarboxylate
Property Insights of Methyl 3-(bromomethyl)-2-benzofurancarboxylate
The XLogP value of 3.1 indicates that Methyl 3-(bromomethyl)-2-benzofurancarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, Methyl 3-(bromomethyl)-2-benzofurancarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(bromomethyl)-2-benzofurancarboxylate 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 3-(bromomethyl)-2-benzofurancarboxylate?
The CAS number of Methyl 3-(bromomethyl)-2-benzofurancarboxylate is 58763-73-8.
What is the molecular formula of Methyl 3-(bromomethyl)-2-benzofurancarboxylate?
The molecular formula of Methyl 3-(bromomethyl)-2-benzofurancarboxylate is C11H9BrO3.
What is the molecular weight of Methyl 3-(bromomethyl)-2-benzofurancarboxylate?
The molecular weight of Methyl 3-(bromomethyl)-2-benzofurancarboxylate is 267.97 g/mol.
Where can I buy Methyl 3-(bromomethyl)-2-benzofurancarboxylate?
You can request a quote for Methyl 3-(bromomethyl)-2-benzofurancarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(bromomethyl)-2-benzofurancarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(bromomethyl)-2-benzofurancarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.