2-Bromo-3,3-dimethylbutanoic Acid
TL;DR: 2-Bromo-3,3-dimethylbutanoic Acid (CAS 5451-48-9) is a chemical compound with molecular formula C6H11BrO2 and molecular weight 193.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3,3-dimethylbutanoic acid
Also Known As: 2-bromo-3,3-dimethylbutanoic acid, tert-Butylbromoacetate, tert-butyl bromoacetic acid, tert-butyl bromo acetic acid, 2-bromo-2-tert-butyl acetic acid
| Molecular Formula | C6H11BrO2 |
|---|---|
| Molecular Weight | 193.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.99425 |
| Heavy Atoms | 9 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 5451-48-9 |
|---|---|
| SMILES | CC(C)(C)C(C(=O)O)Br |
| InChIKey | MJLVLHNXEOQASX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-3,3-dimethylbutanoic Acid (CAS 5451-48-9), with molecular formula C6H11BrO2 and molecular weight 193.99 g/mol. IUPAC: 2-bromo-3,3-dimethylbutanoic acid.
Chemical Property Profile of 2-Bromo-3,3-dimethylbutanoic Acid
Property Insights of 2-Bromo-3,3-dimethylbutanoic Acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3,3-dimethylbutanoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Bromo-3,3-dimethylbutanoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3,3-dimethylbutanoic 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-3,3-dimethylbutanoic Acid?
The CAS number of 2-Bromo-3,3-dimethylbutanoic Acid is 5451-48-9.
What is the molecular formula of 2-Bromo-3,3-dimethylbutanoic Acid?
The molecular formula of 2-Bromo-3,3-dimethylbutanoic Acid is C6H11BrO2.
What is the molecular weight of 2-Bromo-3,3-dimethylbutanoic Acid?
The molecular weight of 2-Bromo-3,3-dimethylbutanoic Acid is 193.99 g/mol.
Where can I buy 2-Bromo-3,3-dimethylbutanoic Acid?
You can request a quote for 2-Bromo-3,3-dimethylbutanoic 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-3,3-dimethylbutanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3,3-dimethylbutanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.