溴乙酸乙酯
TL;DR: 溴乙酸乙酯 (CAS 105-36-2) is a chemical compound with molecular formula C4H7BrO2 and molecular weight 165.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴乙酸乙酯
ethyl 2-bromoacetate
Also Known As: Ethyl bromoacetate, ETHYL 2-BROMOACETATE, Antol, Ethyl bromacetate, Ethyl monobromoacetate
| Molecular Formula | C4H7BrO2 |
|---|---|
| Molecular Weight | 165.96 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.96294 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
| Boiling Point | 168.5 °C |
| Density | 1.5032 @ 20 °C/20 °C |
| Solubility | Insoluble in water, soluble in acetone, miscible in ethanol and ethyl ether. |
| Flash Point | 48 °C |
| Vapor Pressure | 3.37 [mmHg] |
| Refractive Index | 1.4489 @ 20 °C |
Chemical Identifiers
| CAS Number | 105-36-2 |
|---|---|
| SMILES | CCOC(=O)CBr |
| InChIKey | PQJJJMRNHATNKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴乙酸乙酯 (CAS 105-36-2), with molecular formula C4H7BrO2 and molecular weight 165.96 g/mol. IUPAC: ethyl 2-bromoacetate.
Chemical Property Profile of 溴乙酸乙酯
Property Insights of 溴乙酸乙酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溴乙酸乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 溴乙酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴乙酸乙酯 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 溴乙酸乙酯?
The CAS number of 溴乙酸乙酯 is 105-36-2.
What is the molecular formula of 溴乙酸乙酯?
The molecular formula of 溴乙酸乙酯 is C4H7BrO2.
What is the molecular weight of 溴乙酸乙酯?
The molecular weight of 溴乙酸乙酯 is 165.96 g/mol.
Where can I buy 溴乙酸乙酯?
You can request a quote for 溴乙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴乙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 溴乙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.