2-Bromoethyl acrylate
TL;DR: 2-Bromoethyl acrylate (CAS 4823-47-6) is a chemical compound with molecular formula C5H7BrO2 and molecular weight 177.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromoethyl prop-2-enoate
Also Known As: 2-BROMOETHYL ACRYLATE, 2-bromoethyl prop-2-enoate, Acrylic acid, 2-bromoethyl ester, 2-Bromoethylacrylate, 2-Propenoic acid, 2-bromoethyl ester
| Molecular Formula | C5H7BrO2 |
|---|---|
| Molecular Weight | 177.96 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.96294 |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
| Boiling Point | 311 to 157.8 °C at 760 mmHg |
| Density | 1.4581 at 25.0 °C |
| Solubility | less than 1 mg/mL at 68.9 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 4823-47-6 |
|---|---|
| SMILES | C=CC(=O)OCCBr |
| InChIKey | CDZAAIHWZYWBSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromoethyl acrylate (CAS 4823-47-6), with molecular formula C5H7BrO2 and molecular weight 177.96 g/mol. IUPAC: 2-bromoethyl prop-2-enoate.
Chemical Property Profile of 2-Bromoethyl acrylate
Property Insights of 2-Bromoethyl acrylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromoethyl acrylate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Bromoethyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromoethyl acrylate 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-Bromoethyl acrylate?
The CAS number of 2-Bromoethyl acrylate is 4823-47-6.
What is the molecular formula of 2-Bromoethyl acrylate?
The molecular formula of 2-Bromoethyl acrylate is C5H7BrO2.
What is the molecular weight of 2-Bromoethyl acrylate?
The molecular weight of 2-Bromoethyl acrylate is 177.96 g/mol.
Where can I buy 2-Bromoethyl acrylate?
You can request a quote for 2-Bromoethyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromoethyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromoethyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.