2-Bromobutanoic acid
TL;DR: 2-Bromobutanoic acid (CAS 80-58-0) is a chemical compound with molecular formula C4H7BrO2 and molecular weight 165.96294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromobutanoic acid
Also Known As: 2-Bromobutanoic acid, 2-BROMOBUTYRIC ACID, alpha-Bromobutyric acid, Butanoic acid, 2-bromo-, 2-bromsmorsyre
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7BrO2 |
| Molecular Weight | 165.96294 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.96294 Da |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
| Vapor Pressure | 0.1 [mmHg] |
| SMILES | CCC(C(=O)O)Br |
| InChIKey | YAQLSKVCTLCIIE-UHFFFAOYSA-N |
Product Description
Applications: 2-Bromobutanoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Bromobutanoic acid (CAS 80-58-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Bromobutanoic acid (CAS 80-58-0) is a heterocyclic building block with the molecular formula C4H7BrO2 and a molecular weight of 165.96 g/mol. It is also known as 2-Bromobutanoic acid and 2-BROMOBUTYRIC ACID.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Bromobutanoic acid
Property Insights of 2-Bromobutanoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromobutanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Bromobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromobutanoic 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
What is the CAS number of 2-Bromobutanoic acid?
The CAS number of 2-Bromobutanoic acid is 80-58-0.
What is the molecular formula of 2-Bromobutanoic acid?
The molecular formula of 2-Bromobutanoic acid is C4H7BrO2.
What is the molecular weight of 2-Bromobutanoic acid?
The molecular weight of 2-Bromobutanoic acid is 165.96294 g/mol.
What are the applications of 2-Bromobutanoic acid?
2-Bromobutanoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Bromobutanoic acid (CAS 80-58-0)...
Where can I buy 2-Bromobutanoic acid?
You can request a quote for 2-Bromobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Bromobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.