3-Bromo-5-tert-butyl-2-hydroxybenzoic acid
TL;DR: 3-Bromo-5-tert-butyl-2-hydroxybenzoic acid (CAS 73469-64-4) is a chemical compound with molecular formula C11H13BrO3 and molecular weight 272.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-tert-butyl-2-hydroxybenzoic acid
Also Known As: 3-bromo-5-tert-butyl-2-hydroxybenzoic acid, 3-Bromo-5-(tert-butyl)-2-hydroxybenzoic acid, 5-tert-Butyl-3-bromosalicylic acid, Benzoicacid, 3-bromo-5-(1,1-dimethylethyl)-2-hydroxy-, 3-Bromo-5-(t-butyl)-2-hydroxybenZoic acid
| Molecular Formula | C11H13BrO3 |
|---|---|
| Molecular Weight | 272.00 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.00482 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 73469-64-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)Br)O)C(=O)O |
| InChIKey | ZZLUVCAIRRVAHY-UHFFFAOYSA-N |
Product Overview
3-Bromo-5-tert-butyl-2-hydroxybenzoic acid (CAS 73469-64-4), with molecular formula C11H13BrO3 and molecular weight 272.00 g/mol. IUPAC: 3-bromo-5-tert-butyl-2-hydroxybenzoic acid.
Chemical Property Profile of 3-Bromo-5-tert-butyl-2-hydroxybenzoic acid
Property Insights of 3-Bromo-5-tert-butyl-2-hydroxybenzoic acid
The XLogP value of 4.0 indicates that 3-Bromo-5-tert-butyl-2-hydroxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Bromo-5-tert-butyl-2-hydroxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-tert-butyl-2-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-tert-butyl-2-hydroxybenzoic acid?
The CAS number of 3-Bromo-5-tert-butyl-2-hydroxybenzoic acid is 73469-64-4.
What is the molecular formula of 3-Bromo-5-tert-butyl-2-hydroxybenzoic acid?
The molecular formula of 3-Bromo-5-tert-butyl-2-hydroxybenzoic acid is C11H13BrO3.
What is the molecular weight of 3-Bromo-5-tert-butyl-2-hydroxybenzoic acid?
The molecular weight of 3-Bromo-5-tert-butyl-2-hydroxybenzoic acid is 272.00 g/mol.
Where can I buy 3-Bromo-5-tert-butyl-2-hydroxybenzoic acid?
You can request a quote for 3-Bromo-5-tert-butyl-2-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-tert-butyl-2-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-tert-butyl-2-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.