Methyl 5-bromo-2-hydroxy-4-methoxybenzoate
TL;DR: Methyl 5-bromo-2-hydroxy-4-methoxybenzoate (CAS 39503-52-1) 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.
methyl 5-bromo-2-hydroxy-4-methoxybenzoate
Also Known As: methyl 5-bromo-2-hydroxy-4-methoxybenzoate, methyl 5-bromo-4-methoxysalicylate, Methyl 5-bromo-2-hydroxy-4-methoxy-benzoate, methyl5-bromo-2-hydroxy-4-methoxybenzoate, 5-bromo-2-hydroxy-4-methoxybenzoic acid methyl ester
| Molecular Formula | C9H9BrO4 |
|---|---|
| Molecular Weight | 259.97 g/mol |
| LogP | 1.9499 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.9684 |
| Heavy Atoms | 14 |
| Complexity | 362.07474 |
Chemical Identifiers
| CAS Number | 39503-52-1 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)O)C(=O)OC)Br |
Product Overview
Methyl 5-bromo-2-hydroxy-4-methoxybenzoate (CAS 39503-52-1), with molecular formula C9H9BrO4 and molecular weight 259.97 g/mol. IUPAC: methyl 5-bromo-2-hydroxy-4-methoxybenzoate.
Chemical Property Profile of Methyl 5-bromo-2-hydroxy-4-methoxybenzoate
Property Insights of Methyl 5-bromo-2-hydroxy-4-methoxybenzoate
The XLogP value of 1.9499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-bromo-2-hydroxy-4-methoxybenzoate. With a topological polar surface area (TPSA) of 55.76 Ų, Methyl 5-bromo-2-hydroxy-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromo-2-hydroxy-4-methoxybenzoate has 1 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 Methyl 5-bromo-2-hydroxy-4-methoxybenzoate?
The CAS number of Methyl 5-bromo-2-hydroxy-4-methoxybenzoate is 39503-52-1.
What is the molecular formula of Methyl 5-bromo-2-hydroxy-4-methoxybenzoate?
The molecular formula of Methyl 5-bromo-2-hydroxy-4-methoxybenzoate is C9H9BrO4.
What is the molecular weight of Methyl 5-bromo-2-hydroxy-4-methoxybenzoate?
The molecular weight of Methyl 5-bromo-2-hydroxy-4-methoxybenzoate is 259.97 g/mol.
Where can I buy Methyl 5-bromo-2-hydroxy-4-methoxybenzoate?
You can request a quote for Methyl 5-bromo-2-hydroxy-4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-bromo-2-hydroxy-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-2-hydroxy-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.