2-Phenylethyl bromoacetate
TL;DR: 2-Phenylethyl bromoacetate (CAS 3785-33-9) is a chemical compound with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 2-bromoacetate
Also Known As: 2-Phenylethyl bromoacetate, phenethyl 2-bromoacetate, 2-PHENYLETHYL 2-BROMOACETATE, 2-Phenylethyl bromoacetate #, Bromoacetic acid phenethyl ester
| Molecular Formula | C10H11BrO2 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.99425 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 3785-33-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC(=O)CBr |
| InChIKey | MUBFUWFWNPJZSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenylethyl bromoacetate (CAS 3785-33-9), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: 2-phenylethyl 2-bromoacetate.
Chemical Property Profile of 2-Phenylethyl bromoacetate
Property Insights of 2-Phenylethyl bromoacetate
The XLogP value of 3.1 indicates that 2-Phenylethyl bromoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Phenylethyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylethyl bromoacetate 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 2-Phenylethyl bromoacetate?
The CAS number of 2-Phenylethyl bromoacetate is 3785-33-9.
What is the molecular formula of 2-Phenylethyl bromoacetate?
The molecular formula of 2-Phenylethyl bromoacetate is C10H11BrO2.
What is the molecular weight of 2-Phenylethyl bromoacetate?
The molecular weight of 2-Phenylethyl bromoacetate is 241.99 g/mol.
Where can I buy 2-Phenylethyl bromoacetate?
You can request a quote for 2-Phenylethyl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylethyl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylethyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.