Methyl 2-(4-bromophenoxy)acetate
TL;DR: Methyl 2-(4-bromophenoxy)acetate (CAS 4841-23-0) is a chemical compound with molecular formula C9H9BrO3 and molecular weight 243.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-bromophenoxy)acetate
Also Known As: methyl 2-(4-bromophenoxy)acetate, null, methyl (4-bromophenoxy)acetate, Methyl-(4-bromophenoxy)acetate, methyl p-bromophenoxyacetate
| Molecular Formula | C9H9BrO3 |
|---|---|
| Molecular Weight | 243.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.97351 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 4841-23-0 |
|---|---|
| SMILES | COC(=O)COC1=CC=C(C=C1)Br |
| InChIKey | UDAVOUGCAYAMAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(4-bromophenoxy)acetate (CAS 4841-23-0), with molecular formula C9H9BrO3 and molecular weight 243.97 g/mol. IUPAC: methyl 2-(4-bromophenoxy)acetate.
Chemical Property Profile of Methyl 2-(4-bromophenoxy)acetate
Property Insights of Methyl 2-(4-bromophenoxy)acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-bromophenoxy)acetate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 2-(4-bromophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-bromophenoxy)acetate has 0 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 2-(4-bromophenoxy)acetate?
The CAS number of Methyl 2-(4-bromophenoxy)acetate is 4841-23-0.
What is the molecular formula of Methyl 2-(4-bromophenoxy)acetate?
The molecular formula of Methyl 2-(4-bromophenoxy)acetate is C9H9BrO3.
What is the molecular weight of Methyl 2-(4-bromophenoxy)acetate?
The molecular weight of Methyl 2-(4-bromophenoxy)acetate is 243.97 g/mol.
Where can I buy Methyl 2-(4-bromophenoxy)acetate?
You can request a quote for Methyl 2-(4-bromophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-bromophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-bromophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.