Ethyl 2-bromo-3,3-dimethylbutanoate
TL;DR: Ethyl 2-bromo-3,3-dimethylbutanoate (CAS 23218-94-2) 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-3,3-dimethylbutanoate
Also Known As: ethyl 2-bromo-3,3-dimethylbutanoate, Butanoic acid, 2-bromo-3,3-dimethyl-, ethyl ester, ethyl2-bromo-3,3-dimethylbutanoate, 2-Bromo-3,3-dimethylbutyric acid ethyl ester, J1.882.811A
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 23218-94-2 |
|---|---|
| SMILES | CCOC(=O)C(C(C)(C)C)Br |
| InChIKey | HBNCQAOQAWZUPO-UHFFFAOYSA-N |
Product Overview
Ethyl 2-bromo-3,3-dimethylbutanoate (CAS 23218-94-2), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: ethyl 2-bromo-3,3-dimethylbutanoate.
Chemical Property Profile of Ethyl 2-bromo-3,3-dimethylbutanoate
Property Insights of Ethyl 2-bromo-3,3-dimethylbutanoate
The XLogP value of 3.0 indicates that Ethyl 2-bromo-3,3-dimethylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-bromo-3,3-dimethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-bromo-3,3-dimethylbutanoate 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-3,3-dimethylbutanoate?
The CAS number of Ethyl 2-bromo-3,3-dimethylbutanoate is 23218-94-2.
What is the molecular formula of Ethyl 2-bromo-3,3-dimethylbutanoate?
The molecular formula of Ethyl 2-bromo-3,3-dimethylbutanoate is C8H15BrO2.
What is the molecular weight of Ethyl 2-bromo-3,3-dimethylbutanoate?
The molecular weight of Ethyl 2-bromo-3,3-dimethylbutanoate is 222.03 g/mol.
Where can I buy Ethyl 2-bromo-3,3-dimethylbutanoate?
You can request a quote for Ethyl 2-bromo-3,3-dimethylbutanoate 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-3,3-dimethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-bromo-3,3-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.