Methyl 5-bromosalicylate
TL;DR: Methyl 5-bromosalicylate (CAS 4068-76-2) is a chemical compound with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-2-hydroxybenzoate
Also Known As: Methyl 5-bromosalicylate, methyl 5-bromo-2-hydroxybenzoate, null, methyl-5-bromosalicylate, Benzoic acid, 5-bromo-2-hydroxy-, methyl ester
| Molecular Formula | C8H7BrO3 |
|---|---|
| Molecular Weight | 229.96 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.95786 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 4068-76-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)Br)O |
| InChIKey | FJYDBKPPGRZSOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-bromosalicylate (CAS 4068-76-2), with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol. IUPAC: methyl 5-bromo-2-hydroxybenzoate.
Chemical Property Profile of Methyl 5-bromosalicylate
Property Insights of Methyl 5-bromosalicylate
The XLogP value of 3.6 indicates that Methyl 5-bromosalicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 5-bromosalicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromosalicylate has 1 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 Methyl 5-bromosalicylate?
The CAS number of Methyl 5-bromosalicylate is 4068-76-2.
What is the molecular formula of Methyl 5-bromosalicylate?
The molecular formula of Methyl 5-bromosalicylate is C8H7BrO3.
What is the molecular weight of Methyl 5-bromosalicylate?
The molecular weight of Methyl 5-bromosalicylate is 229.96 g/mol.
Where can I buy Methyl 5-bromosalicylate?
You can request a quote for Methyl 5-bromosalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-bromosalicylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromosalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.