Methyl (2-bromo-6-methyl-1-benzofuran-3-yl)acetate
TL;DR: Methyl (2-bromo-6-methyl-1-benzofuran-3-yl)acetate (CAS 889943-66-2) is a chemical compound with molecular formula C12H11BrO3 and molecular weight 281.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-bromo-6-methyl-1-benzofuran-3-yl)acetate
Also Known As: methyl (2-bromo-6-methyl-1-benzofuran-3-yl)acetate, methyl 2-(2-bromo-6-methylbenzofuran-3-yl)acetate, methyl 2-(2-bromo-6-methyl-1-benzofuran-3-yl)acetate
| Molecular Formula | C12H11BrO3 |
|---|---|
| Molecular Weight | 281.99 g/mol |
| LogP | 3.21922 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.98917 |
| Heavy Atoms | 16 |
| Complexity | 542.4326 |
Chemical Identifiers
| CAS Number | 889943-66-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(O2)Br)CC(=O)OC |
Product Overview
Methyl (2-bromo-6-methyl-1-benzofuran-3-yl)acetate (CAS 889943-66-2), with molecular formula C12H11BrO3 and molecular weight 281.99 g/mol. IUPAC: methyl 2-(2-bromo-6-methyl-1-benzofuran-3-yl)acetate.
Chemical Property Profile of Methyl (2-bromo-6-methyl-1-benzofuran-3-yl)acetate
Property Insights of Methyl (2-bromo-6-methyl-1-benzofuran-3-yl)acetate
The XLogP value of 3.21922 indicates that Methyl (2-bromo-6-methyl-1-benzofuran-3-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.44 Ų, Methyl (2-bromo-6-methyl-1-benzofuran-3-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (2-bromo-6-methyl-1-benzofuran-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-bromo-6-methyl-1-benzofuran-3-yl)acetate?
The CAS number of Methyl (2-bromo-6-methyl-1-benzofuran-3-yl)acetate is 889943-66-2.
What is the molecular formula of Methyl (2-bromo-6-methyl-1-benzofuran-3-yl)acetate?
The molecular formula of Methyl (2-bromo-6-methyl-1-benzofuran-3-yl)acetate is C12H11BrO3.
What is the molecular weight of Methyl (2-bromo-6-methyl-1-benzofuran-3-yl)acetate?
The molecular weight of Methyl (2-bromo-6-methyl-1-benzofuran-3-yl)acetate is 281.99 g/mol.
Where can I buy Methyl (2-bromo-6-methyl-1-benzofuran-3-yl)acetate?
You can request a quote for Methyl (2-bromo-6-methyl-1-benzofuran-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-bromo-6-methyl-1-benzofuran-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2-bromo-6-methyl-1-benzofuran-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.