3-Bromo-1-benzofuran
TL;DR: 3-Bromo-1-benzofuran (CAS 59214-70-9) is a chemical compound with molecular formula C8H5BrO and molecular weight 195.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1-benzofuran
Also Known As: 3-bromobenzofuran, 3-bromo-1-benzofuran, 3-Bromobenzo[b]furan, benzofuran, 3-bromo-, 3-Brombenzofuran
| Molecular Formula | C8H5BrO |
|---|---|
| Molecular Weight | 195.95 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.95238 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 59214-70-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CO2)Br |
| InChIKey | ICJNAOJPUTYWNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-1-benzofuran (CAS 59214-70-9), with molecular formula C8H5BrO and molecular weight 195.95 g/mol. IUPAC: 3-bromo-1-benzofuran.
Chemical Property Profile of 3-Bromo-1-benzofuran
Property Insights of 3-Bromo-1-benzofuran
The XLogP value of 3.0 indicates that 3-Bromo-1-benzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.1 Ų, 3-Bromo-1-benzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1-benzofuran has 0 hydrogen bond donor(s) and 1 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 3-Bromo-1-benzofuran?
The CAS number of 3-Bromo-1-benzofuran is 59214-70-9.
What is the molecular formula of 3-Bromo-1-benzofuran?
The molecular formula of 3-Bromo-1-benzofuran is C8H5BrO.
What is the molecular weight of 3-Bromo-1-benzofuran?
The molecular weight of 3-Bromo-1-benzofuran is 195.95 g/mol.
Where can I buy 3-Bromo-1-benzofuran?
You can request a quote for 3-Bromo-1-benzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1-benzofuran?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1-benzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.