6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid
TL;DR: 6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid (CAS 385390-94-3) is a chemical compound with molecular formula C13H13BrO4 and molecular weight 312.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid
Also Known As: 6-bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid, 6-bromo-2-(tert-butyl)-5-hydroxybenzofuran-3-carboxylic acid, F1190-0195, 6-bromo-5-hydroxy-2-tert-butyl-benzofuran-3-carboxylic Acid, 2-(tert-butyl)-6-bromo-5-hydroxybenzo[b]furan-3-carboxylic acid
| Molecular Formula | C13H13BrO4 |
|---|---|
| Molecular Weight | 312.00 g/mol |
| LogP | 3.8966 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.99973 |
| Heavy Atoms | 18 |
| Complexity | 634.45917 |
Chemical Identifiers
| CAS Number | 385390-94-3 |
|---|---|
| SMILES | CC(C)(C)C1=C(C2=CC(=C(C=C2O1)Br)O)C(=O)O |
Product Overview
6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid (CAS 385390-94-3), with molecular formula C13H13BrO4 and molecular weight 312.00 g/mol. IUPAC: 6-bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid.
Chemical Property Profile of 6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid
Property Insights of 6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid
The XLogP value of 3.8966 indicates that 6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid. Following Lipinski's Rule of Five, 6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid has 2 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 6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid?
The CAS number of 6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid is 385390-94-3.
What is the molecular formula of 6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid?
The molecular formula of 6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid is C13H13BrO4.
What is the molecular weight of 6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid?
The molecular weight of 6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid is 312.00 g/mol.
Where can I buy 6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid?
You can request a quote for 6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.