3-Bromo-5-ethoxy-4-hydroxybenzoic acid
TL;DR: 3-Bromo-5-ethoxy-4-hydroxybenzoic acid (CAS 671790-53-7) is a chemical compound with molecular formula C9H9BrO4 and molecular weight 259.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-ethoxy-4-hydroxybenzoic acid
Also Known As: 3-bromo-5-ethoxy-4-hydroxybenzoic acid, 3-bromo-5-ethoxy-4-hydroxy-benzoic Acid
| Molecular Formula | C9H9BrO4 |
|---|---|
| Molecular Weight | 259.97 g/mol |
| LogP | 2.2516 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.9684 |
| Heavy Atoms | 14 |
| Complexity | 362.07474 |
Chemical Identifiers
| CAS Number | 671790-53-7 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C(=O)O)Br)O |
Product Overview
3-Bromo-5-ethoxy-4-hydroxybenzoic acid (CAS 671790-53-7), with molecular formula C9H9BrO4 and molecular weight 259.97 g/mol. IUPAC: 3-bromo-5-ethoxy-4-hydroxybenzoic acid.
Chemical Property Profile of 3-Bromo-5-ethoxy-4-hydroxybenzoic acid
Property Insights of 3-Bromo-5-ethoxy-4-hydroxybenzoic acid
The XLogP value of 2.2516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-5-ethoxy-4-hydroxybenzoic acid. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-5-ethoxy-4-hydroxybenzoic acid. Following Lipinski's Rule of Five, 3-Bromo-5-ethoxy-4-hydroxybenzoic 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 3-Bromo-5-ethoxy-4-hydroxybenzoic acid?
The CAS number of 3-Bromo-5-ethoxy-4-hydroxybenzoic acid is 671790-53-7.
What is the molecular formula of 3-Bromo-5-ethoxy-4-hydroxybenzoic acid?
The molecular formula of 3-Bromo-5-ethoxy-4-hydroxybenzoic acid is C9H9BrO4.
What is the molecular weight of 3-Bromo-5-ethoxy-4-hydroxybenzoic acid?
The molecular weight of 3-Bromo-5-ethoxy-4-hydroxybenzoic acid is 259.97 g/mol.
Where can I buy 3-Bromo-5-ethoxy-4-hydroxybenzoic acid?
You can request a quote for 3-Bromo-5-ethoxy-4-hydroxybenzoic 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-5-ethoxy-4-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-ethoxy-4-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.