2-Bromo-2-methylpropanoic acid
TL;DR: 2-Bromo-2-methylpropanoic acid (CAS 2052-01-9) is a chemical compound with molecular formula C4H7BrO2 and molecular weight 165.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2-methylpropanoic acid
Also Known As: 2-Bromo-2-methylpropanoic acid, 2-Bromo-2-methylpropionic acid, 2-Bromoisobutyric acid, Isobromobutyric acid, Propanoic acid, 2-bromo-2-methyl-
| Molecular Formula | C4H7BrO2 |
|---|---|
| Molecular Weight | 165.96 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.96294 |
| Heavy Atoms | 7 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 2052-01-9 |
|---|---|
| SMILES | CC(C)(C(=O)O)Br |
| InChIKey | XXSPGBOGLXKMDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-2-methylpropanoic acid (CAS 2052-01-9), with molecular formula C4H7BrO2 and molecular weight 165.96 g/mol. IUPAC: 2-bromo-2-methylpropanoic acid.
Chemical Property Profile of 2-Bromo-2-methylpropanoic acid
Property Insights of 2-Bromo-2-methylpropanoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-2-methylpropanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Bromo-2-methylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-2-methylpropanoic acid has 1 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 2-Bromo-2-methylpropanoic acid?
The CAS number of 2-Bromo-2-methylpropanoic acid is 2052-01-9.
What is the molecular formula of 2-Bromo-2-methylpropanoic acid?
The molecular formula of 2-Bromo-2-methylpropanoic acid is C4H7BrO2.
What is the molecular weight of 2-Bromo-2-methylpropanoic acid?
The molecular weight of 2-Bromo-2-methylpropanoic acid is 165.96 g/mol.
Where can I buy 2-Bromo-2-methylpropanoic acid?
You can request a quote for 2-Bromo-2-methylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-2-methylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.