3-Bromo-4,5-dihydroxybenzoic acid
TL;DR: 3-Bromo-4,5-dihydroxybenzoic acid (CAS 66522-52-9) is a chemical compound with molecular formula C7H5BrO4 and molecular weight 231.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4,5-dihydroxybenzoic acid
Also Known As: 3-Bromo-4,5-dihydroxybenzoic acid, 5-Bromoprotocatechuic acid, Protocatechuic acid, 5-bromo-, 5-Bromprotocatechusaure, 5-Bromo-3,4-dihydroxybenzoic acid
| Molecular Formula | C7H5BrO4 |
|---|---|
| Molecular Weight | 231.94 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.93712 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 66522-52-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)Br)C(=O)O |
| InChIKey | XCTQCHNCFZFEGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-4,5-dihydroxybenzoic acid (CAS 66522-52-9), with molecular formula C7H5BrO4 and molecular weight 231.94 g/mol. IUPAC: 3-bromo-4,5-dihydroxybenzoic acid.
Chemical Property Profile of 3-Bromo-4,5-dihydroxybenzoic acid
Property Insights of 3-Bromo-4,5-dihydroxybenzoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4,5-dihydroxybenzoic acid. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-4,5-dihydroxybenzoic acid. Following Lipinski's Rule of Five, 3-Bromo-4,5-dihydroxybenzoic acid has 3 hydrogen bond donor(s) and 4 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-4,5-dihydroxybenzoic acid?
The CAS number of 3-Bromo-4,5-dihydroxybenzoic acid is 66522-52-9.
What is the molecular formula of 3-Bromo-4,5-dihydroxybenzoic acid?
The molecular formula of 3-Bromo-4,5-dihydroxybenzoic acid is C7H5BrO4.
What is the molecular weight of 3-Bromo-4,5-dihydroxybenzoic acid?
The molecular weight of 3-Bromo-4,5-dihydroxybenzoic acid is 231.94 g/mol.
Where can I buy 3-Bromo-4,5-dihydroxybenzoic acid?
You can request a quote for 3-Bromo-4,5-dihydroxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4,5-dihydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4,5-dihydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.