Methyl 2-bromo-2-ethylbutyrate
TL;DR: Methyl 2-bromo-2-ethylbutyrate (CAS 2399-18-0) 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.
methyl 2-bromo-2-ethylbutanoate
Also Known As: methyl 2-bromo-2-ethylbutanoate, Methyl 2-bromo-2-ethylbutyrate, bromo-2 ethyl-2 butyrate d'methyle, 2-Bromo-2-ethyl-butyric acid methyl ester, 2-Bromo-2-ethylbutanoic acid methyl ester
| 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 | 119.0 |
Chemical Identifiers
| CAS Number | 2399-18-0 |
|---|---|
| SMILES | CCC(CC)(C(=O)OC)Br |
| InChIKey | GYXGJKGWKZTXMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-bromo-2-ethylbutyrate (CAS 2399-18-0), with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol. IUPAC: methyl 2-bromo-2-ethylbutanoate.
Chemical Property Profile of Methyl 2-bromo-2-ethylbutyrate
Property Insights of Methyl 2-bromo-2-ethylbutyrate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-bromo-2-ethylbutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-bromo-2-ethylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-bromo-2-ethylbutyrate 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 Methyl 2-bromo-2-ethylbutyrate?
The CAS number of Methyl 2-bromo-2-ethylbutyrate is 2399-18-0.
What is the molecular formula of Methyl 2-bromo-2-ethylbutyrate?
The molecular formula of Methyl 2-bromo-2-ethylbutyrate is C7H13BrO2.
What is the molecular weight of Methyl 2-bromo-2-ethylbutyrate?
The molecular weight of Methyl 2-bromo-2-ethylbutyrate is 208.01 g/mol.
Where can I buy Methyl 2-bromo-2-ethylbutyrate?
You can request a quote for Methyl 2-bromo-2-ethylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-bromo-2-ethylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-2-ethylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.