2-Bromo-3-methylbut-2-enoic acid
TL;DR: 2-Bromo-3-methylbut-2-enoic acid (CAS 1578-14-9) is a chemical compound with molecular formula C5H7BrO2 and molecular weight 177.96294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-3-methylbut-2-enoic acid
Also Known As: 2-bromo-3-methylbut-2-enoic acid, 3-Bromosenecioic acid, 3-bromosenecioicacid, 2-Bromo-3-methyl-2-butenoic acid, 2-Butenoic acid, 2-bromo-3-methyl-
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H7BrO2 |
| Molecular Weight | 177.96294 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.96294 Da |
| Heavy Atoms | 8 |
| Complexity | 133.0 |
| SMILES | CC(=C(C(=O)O)Br)C |
| InChIKey | PKWKVTRJEOMTSE-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-3-methylbut-2-enoic acid
Property Insights of 2-Bromo-3-methylbut-2-enoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3-methylbut-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Bromo-3-methylbut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-methylbut-2-enoic 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-Bromo-3-methylbut-2-enoic acid?
The CAS number of 2-Bromo-3-methylbut-2-enoic acid is 1578-14-9.
What is the molecular formula of 2-Bromo-3-methylbut-2-enoic acid?
The molecular formula of 2-Bromo-3-methylbut-2-enoic acid is C5H7BrO2.
What is the molecular weight of 2-Bromo-3-methylbut-2-enoic acid?
The molecular weight of 2-Bromo-3-methylbut-2-enoic acid is 177.96294 g/mol.
Where can I buy 2-Bromo-3-methylbut-2-enoic acid?
You can request a quote for 2-Bromo-3-methylbut-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-3-methylbut-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-3-methylbut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.