Ethyl 2-bromoisovalerate
TL;DR: Ethyl 2-bromoisovalerate (CAS 609-12-1) is a chemical compound with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-bromo-3-methylbutanoate
Also Known As: Ethyl 2-bromoisovalerate, Ethyl 2-bromo-3-methylbutanoate, Ethyl 2-bromo-3-methylbutyrate, Diethyl mesoxalate, Ethyl alpha-bromoisovalerate
| Molecular Formula | C7H13BrO2 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.00989 |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 609-12-1 |
|---|---|
| SMILES | CCOC(=O)C(C(C)C)Br |
| InChIKey | WNFUWONOILPKNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-bromoisovalerate (CAS 609-12-1), with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol. IUPAC: ethyl 2-bromo-3-methylbutanoate.
Chemical Property Profile of Ethyl 2-bromoisovalerate
Property Insights of Ethyl 2-bromoisovalerate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-bromoisovalerate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-bromoisovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-bromoisovalerate 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-bromoisovalerate?
The CAS number of Ethyl 2-bromoisovalerate is 609-12-1.
What is the molecular formula of Ethyl 2-bromoisovalerate?
The molecular formula of Ethyl 2-bromoisovalerate is C7H13BrO2.
What is the molecular weight of Ethyl 2-bromoisovalerate?
The molecular weight of Ethyl 2-bromoisovalerate is 208.01 g/mol.
Where can I buy Ethyl 2-bromoisovalerate?
You can request a quote for Ethyl 2-bromoisovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-bromoisovalerate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-bromoisovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.