Methyl 2-bromo-2-methylpropionate
TL;DR: Methyl 2-bromo-2-methylpropionate (CAS 23426-63-3) is a chemical compound with molecular formula C5H9BrO2 and molecular weight 179.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-2-methylpropanoate
Also Known As: methyl 2-bromo-2-methylpropanoate, Methyl 2-bromo-2-methylpropionate, Methyl 2-bromoisobutyrate, methyl2-bromoisobutyrate, methyl a-bromoisobutyrate
| Molecular Formula | C5H9BrO2 |
|---|---|
| Molecular Weight | 179.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.97859 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 23426-63-3 |
|---|---|
| SMILES | CC(C)(C(=O)OC)Br |
| InChIKey | PQUSVJVVRXWKDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-bromo-2-methylpropionate (CAS 23426-63-3), with molecular formula C5H9BrO2 and molecular weight 179.98 g/mol. IUPAC: methyl 2-bromo-2-methylpropanoate.
Chemical Property Profile of Methyl 2-bromo-2-methylpropionate
Property Insights of Methyl 2-bromo-2-methylpropionate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-bromo-2-methylpropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-bromo-2-methylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-bromo-2-methylpropionate 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-methylpropionate?
The CAS number of Methyl 2-bromo-2-methylpropionate is 23426-63-3.
What is the molecular formula of Methyl 2-bromo-2-methylpropionate?
The molecular formula of Methyl 2-bromo-2-methylpropionate is C5H9BrO2.
What is the molecular weight of Methyl 2-bromo-2-methylpropionate?
The molecular weight of Methyl 2-bromo-2-methylpropionate is 179.98 g/mol.
Where can I buy Methyl 2-bromo-2-methylpropionate?
You can request a quote for Methyl 2-bromo-2-methylpropionate 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-methylpropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-2-methylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.