(2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid
TL;DR: (2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid (CAS 879775-00-5) 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.
2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetic acid
Also Known As: (2-bromo-5-ethyl-1-benzofuran-3-yl)acetic acid, 2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetic acid, 2-(2-bromo-5-ethylbenzofuran-3-yl)acetic acid, 2-(2-bromo-5-ethyl-benzofuran-3-yl)acetic Acid, 2-(2-bromo-5-ethylbenzo[b]furan-3-yl)acetic acid
| Molecular Formula | C12H11BrO3 |
|---|---|
| Molecular Weight | 281.99 g/mol |
| LogP | 3.3848 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.98917 |
| Heavy Atoms | 16 |
| Complexity | 542.4326 |
Chemical Identifiers
| CAS Number | 879775-00-5 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)OC(=C2CC(=O)O)Br |
Product Overview
(2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid (CAS 879775-00-5), with molecular formula C12H11BrO3 and molecular weight 281.99 g/mol. IUPAC: 2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetic acid.
Chemical Property Profile of (2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid
Property Insights of (2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid
The XLogP value of 3.3848 indicates that (2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, (2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid has 1 hydrogen bond donor(s) and 2 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 (2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid?
The CAS number of (2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid is 879775-00-5.
What is the molecular formula of (2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid?
The molecular formula of (2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid is C12H11BrO3.
What is the molecular weight of (2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid?
The molecular weight of (2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid is 281.99 g/mol.
Where can I buy (2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid?
You can request a quote for (2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Bromo-5-ethyl-1-benzofuran-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.