Methyl 3-(bromomethyl)benzoate
TL;DR: Methyl 3-(bromomethyl)benzoate (CAS 1129-28-8) is a chemical compound with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(bromomethyl)benzoate
Also Known As: Methyl 3-(bromomethyl)benzoate, Methyl 3-bromomethylbenzoate, m-Carbomethoxybenzyl bromide, zlchem 865, Methyl-3-(bromomethyl)benzoate
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.97859 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 1129-28-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)CBr |
| InChIKey | YUHSMQQNPRLEEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(bromomethyl)benzoate (CAS 1129-28-8), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: methyl 3-(bromomethyl)benzoate.
Chemical Property Profile of Methyl 3-(bromomethyl)benzoate
Property Insights of Methyl 3-(bromomethyl)benzoate
The XLogP value of 3.0 indicates that Methyl 3-(bromomethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-(bromomethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(bromomethyl)benzoate has 0 hydrogen bond donor(s) and 2 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-(bromomethyl)benzoate?
The CAS number of Methyl 3-(bromomethyl)benzoate is 1129-28-8.
What is the molecular formula of Methyl 3-(bromomethyl)benzoate?
The molecular formula of Methyl 3-(bromomethyl)benzoate is C9H9BrO2.
What is the molecular weight of Methyl 3-(bromomethyl)benzoate?
The molecular weight of Methyl 3-(bromomethyl)benzoate is 227.98 g/mol.
Where can I buy Methyl 3-(bromomethyl)benzoate?
You can request a quote for Methyl 3-(bromomethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(bromomethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(bromomethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.