Ethyl 3-bromopropionate
TL;DR: Ethyl 3-bromopropionate (CAS 539-74-2) is a chemical compound with molecular formula C5H9BrO2 and molecular weight 179.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-bromopropanoate
Also Known As: Ethyl 3-bromopropanoate, Ethyl 3-bromopropionate, Ethyl beta-bromopropionate, 3-Bromopropionic acid ethyl ester, Propanoic acid, 3-bromo-, ethyl ester
| Molecular Formula | C5H9BrO2 |
|---|---|
| Molecular Weight | 179.98 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 | 179.97859 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 539-74-2 |
|---|---|
| SMILES | CCOC(=O)CCBr |
| InChIKey | FQTIYMRSUOADDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-bromopropionate (CAS 539-74-2), with molecular formula C5H9BrO2 and molecular weight 179.98 g/mol. IUPAC: ethyl 3-bromopropanoate.
Chemical Property Profile of Ethyl 3-bromopropionate
Property Insights of Ethyl 3-bromopropionate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-bromopropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-bromopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-bromopropionate 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 Ethyl 3-bromopropionate?
The CAS number of Ethyl 3-bromopropionate is 539-74-2.
What is the molecular formula of Ethyl 3-bromopropionate?
The molecular formula of Ethyl 3-bromopropionate is C5H9BrO2.
What is the molecular weight of Ethyl 3-bromopropionate?
The molecular weight of Ethyl 3-bromopropionate is 179.98 g/mol.
Where can I buy Ethyl 3-bromopropionate?
You can request a quote for Ethyl 3-bromopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-bromopropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-bromopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.