4-Bromo-4,4-difluorobutanoic acid
TL;DR: 4-Bromo-4,4-difluorobutanoic acid (CAS 147345-36-6) is a chemical compound with molecular formula C4H5BrF2O2 and molecular weight 201.9441 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-4,4-difluorobutanoic acid
Also Known As: 4-bromo-4,4-difluorobutanoic acid, 4-Bromo-4,4-difluorobutyric acid, Butanoic acid, 4-bromo-4,4-difluoro-, 4-BROMO-4,4-DIFLUOROBUTYRICACID, 4-bromo-4,4-difluoro-butanoic Acid
Technical Specifications
| Molecular Formula | C4H5BrF2O2 |
| Molecular Weight | 201.9441 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.9441 Da |
| Heavy Atoms | 9 |
| Complexity | 115.0 |
| SMILES | C(CC(F)(F)Br)C(=O)O |
| InChIKey | YAIWEWFNTHJMTH-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-4,4-difluorobutanoic acid
Property Insights of 4-Bromo-4,4-difluorobutanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-4,4-difluorobutanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Bromo-4,4-difluorobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-4,4-difluorobutanoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Bromo-4,4-difluorobutanoic acid?
The CAS number of 4-Bromo-4,4-difluorobutanoic acid is 147345-36-6.
What is the molecular formula of 4-Bromo-4,4-difluorobutanoic acid?
The molecular formula of 4-Bromo-4,4-difluorobutanoic acid is C4H5BrF2O2.
What is the molecular weight of 4-Bromo-4,4-difluorobutanoic acid?
The molecular weight of 4-Bromo-4,4-difluorobutanoic acid is 201.9441 g/mol.
Where can I buy 4-Bromo-4,4-difluorobutanoic acid?
You can request a quote for 4-Bromo-4,4-difluorobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromo-4,4-difluorobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-4,4-difluorobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.