5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran
TL;DR: 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran (CAS 58802-03-2) is a chemical compound with molecular formula C10H11BrO and molecular weight 226.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2,2-dimethyl-3H-1-benzofuran
Also Known As: 5-bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran, 5-BROMO-2,2-DIMETHYL-2,3-DIHYDROBENZOFURAN, 5-bromo-2,2-dimethyl-3H-1-benzofuran, 5-bromo-2,2-dimethyl-3H-benzofuran, 5-BROMO-2,2-DIMETHYLBENZOFURAN
| Molecular Formula | C10H11BrO |
|---|---|
| Molecular Weight | 226.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.99933 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 58802-03-2 |
|---|---|
| SMILES | CC1(CC2=C(O1)C=CC(=C2)Br)C |
| InChIKey | OTTUXKDHMIKPFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran (CAS 58802-03-2), with molecular formula C10H11BrO and molecular weight 226.00 g/mol. IUPAC: 5-bromo-2,2-dimethyl-3H-1-benzofuran.
Chemical Property Profile of 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran
Property Insights of 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran
The XLogP value of 3.2 indicates that 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2,2-dimethyl-2,3-dihydro-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 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran?
The CAS number of 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran is 58802-03-2.
What is the molecular formula of 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran?
The molecular formula of 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran is C10H11BrO.
What is the molecular weight of 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran?
The molecular weight of 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran is 226.00 g/mol.
Where can I buy 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran?
You can request a quote for 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.