2-Phenoxyethyl bromoacetate
TL;DR: 2-Phenoxyethyl bromoacetate (CAS 56521-82-5) is a chemical compound with molecular formula C10H11BrO3 and molecular weight 257.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 2-bromoacetate
Also Known As: 2-Phenoxyethyl bromoacetate, 2-phenoxyethyl 2-bromoacetate, 2-Phenoxyethyl monobromoacetate, 2-Phenoxyethylmonobromoacetate, beta-phenoxyethyl bromoacetate
| Molecular Formula | C10H11BrO3 |
|---|---|
| Molecular Weight | 257.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.98917 |
| Heavy Atoms | 14 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 56521-82-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCOC(=O)CBr |
| InChIKey | OPGXPDPPQCMKEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenoxyethyl bromoacetate (CAS 56521-82-5), with molecular formula C10H11BrO3 and molecular weight 257.99 g/mol. IUPAC: 2-phenoxyethyl 2-bromoacetate.
Chemical Property Profile of 2-Phenoxyethyl bromoacetate
Property Insights of 2-Phenoxyethyl bromoacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenoxyethyl bromoacetate. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Phenoxyethyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenoxyethyl bromoacetate 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 2-Phenoxyethyl bromoacetate?
The CAS number of 2-Phenoxyethyl bromoacetate is 56521-82-5.
What is the molecular formula of 2-Phenoxyethyl bromoacetate?
The molecular formula of 2-Phenoxyethyl bromoacetate is C10H11BrO3.
What is the molecular weight of 2-Phenoxyethyl bromoacetate?
The molecular weight of 2-Phenoxyethyl bromoacetate is 257.99 g/mol.
Where can I buy 2-Phenoxyethyl bromoacetate?
You can request a quote for 2-Phenoxyethyl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenoxyethyl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenoxyethyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.