2-Bromo-3-fluoro-3-methylbutyric acid
TL;DR: 2-Bromo-3-fluoro-3-methylbutyric acid (CAS 695191-66-3) is a chemical compound with molecular formula C5H8BrFO2 and molecular weight 197.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-fluoro-3-methylbutanoic acid
Also Known As: 2-BROMO-3-FLUORO-3-METHYLBUTYRIC ACID, 2-bromo-3-fluoro-3-methylbutanoic acid, 2-bromo-3-fluoroisovaleric acid, 4523AE, 2-bromo-3-fluoro-3-methyl-butanoic acid
| Molecular Formula | C5H8BrFO2 |
|---|---|
| Molecular Weight | 197.97 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.96918 |
| Heavy Atoms | 9 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 695191-66-3 |
|---|---|
| SMILES | CC(C)(C(C(=O)O)Br)F |
| InChIKey | ZCKLBZQBSTXFHQ-UHFFFAOYSA-N |
Product Overview
2-Bromo-3-fluoro-3-methylbutyric acid (CAS 695191-66-3), with molecular formula C5H8BrFO2 and molecular weight 197.97 g/mol. IUPAC: 2-bromo-3-fluoro-3-methylbutanoic acid.
Chemical Property Profile of 2-Bromo-3-fluoro-3-methylbutyric acid
Property Insights of 2-Bromo-3-fluoro-3-methylbutyric acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3-fluoro-3-methylbutyric acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Bromo-3-fluoro-3-methylbutyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-fluoro-3-methylbutyric acid has 1 hydrogen bond donor(s) and 3 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-fluoro-3-methylbutyric acid?
The CAS number of 2-Bromo-3-fluoro-3-methylbutyric acid is 695191-66-3.
What is the molecular formula of 2-Bromo-3-fluoro-3-methylbutyric acid?
The molecular formula of 2-Bromo-3-fluoro-3-methylbutyric acid is C5H8BrFO2.
What is the molecular weight of 2-Bromo-3-fluoro-3-methylbutyric acid?
The molecular weight of 2-Bromo-3-fluoro-3-methylbutyric acid is 197.97 g/mol.
Where can I buy 2-Bromo-3-fluoro-3-methylbutyric acid?
You can request a quote for 2-Bromo-3-fluoro-3-methylbutyric 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-fluoro-3-methylbutyric acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-fluoro-3-methylbutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.