Ethyl 2-bromo-2-ethylbutanoate
TL;DR: Ethyl 2-bromo-2-ethylbutanoate (CAS 81361-00-4) is a chemical compound with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-bromo-2-ethylbutanoate
Also Known As: ethyl 2-bromo-2-ethylbutanoate, ETHYL alpha-BROMODIETHYLACETATE, ethylalpha-bromodiethylacetate, alpha-Bromodiethylacetic Acid Ethyl Ester, ethyl a-bromodiethylacetate
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 81361-00-4 |
|---|---|
| SMILES | CCC(CC)(C(=O)OCC)Br |
| InChIKey | YIFZOOLBLJRSBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-bromo-2-ethylbutanoate (CAS 81361-00-4), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: ethyl 2-bromo-2-ethylbutanoate.
Chemical Property Profile of Ethyl 2-bromo-2-ethylbutanoate
Property Insights of Ethyl 2-bromo-2-ethylbutanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-bromo-2-ethylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-bromo-2-ethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-bromo-2-ethylbutanoate 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 2-bromo-2-ethylbutanoate?
The CAS number of Ethyl 2-bromo-2-ethylbutanoate is 81361-00-4.
What is the molecular formula of Ethyl 2-bromo-2-ethylbutanoate?
The molecular formula of Ethyl 2-bromo-2-ethylbutanoate is C8H15BrO2.
What is the molecular weight of Ethyl 2-bromo-2-ethylbutanoate?
The molecular weight of Ethyl 2-bromo-2-ethylbutanoate is 222.03 g/mol.
Where can I buy Ethyl 2-bromo-2-ethylbutanoate?
You can request a quote for Ethyl 2-bromo-2-ethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-bromo-2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-bromo-2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.