Methyl 3-bromo-4-hydroxybenzoate
TL;DR: Methyl 3-bromo-4-hydroxybenzoate (CAS 29415-97-2) 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 3-bromo-4-hydroxybenzoate
Also Known As: METHYL 3-BROMO-4-HYDROXYBENZOATE, Terbutaline Impurity 66, methyl3-bromo-4-hydroxybenzoate, Benzoic acid, 3-bromo-4-hydroxy-, methyl ester, methyl 3-bromo-4-hydroxy-benzoate
| Molecular Formula | C8H7BrO3 |
|---|---|
| Molecular Weight | 229.96 g/mol |
| LogP | 1.9413 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.95786 |
| Heavy Atoms | 12 |
| Complexity | 309.17133 |
Chemical Identifiers
| CAS Number | 29415-97-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)O)Br |
Product Overview
Methyl 3-bromo-4-hydroxybenzoate (CAS 29415-97-2), with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol. IUPAC: methyl 3-bromo-4-hydroxybenzoate.
Chemical Property Profile of Methyl 3-bromo-4-hydroxybenzoate
Property Insights of Methyl 3-bromo-4-hydroxybenzoate
The XLogP value of 1.9413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-bromo-4-hydroxybenzoate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 3-bromo-4-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-bromo-4-hydroxybenzoate 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 3-bromo-4-hydroxybenzoate?
The CAS number of Methyl 3-bromo-4-hydroxybenzoate is 29415-97-2.
What is the molecular formula of Methyl 3-bromo-4-hydroxybenzoate?
The molecular formula of Methyl 3-bromo-4-hydroxybenzoate is C8H7BrO3.
What is the molecular weight of Methyl 3-bromo-4-hydroxybenzoate?
The molecular weight of Methyl 3-bromo-4-hydroxybenzoate is 229.96 g/mol.
Where can I buy Methyl 3-bromo-4-hydroxybenzoate?
You can request a quote for Methyl 3-bromo-4-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-bromo-4-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-bromo-4-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.