(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid
TL;DR: (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid (CAS 156594-11-5) is a chemical compound with molecular formula C5H7F3O3 and molecular weight 172.03473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid
Also Known As: (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid, 4,4,4-Trifluoro-3-hydroxy-3-methylbutyric acid, (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoicacid, 831-148-1
Technical Specifications
| Molecular Formula | C5H7F3O3 |
| Molecular Weight | 172.03473 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.03473 Da |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
| SMILES | C[C@](CC(=O)O)(C(F)(F)F)O |
| InChIKey | JCJGOWYCFRASTM-BYPYZUCNSA-N |
Chemical Property Profile of (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid
Property Insights of (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid?
The CAS number of (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid is 156594-11-5.
What is the molecular formula of (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid?
The molecular formula of (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid is C5H7F3O3.
What is the molecular weight of (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid?
The molecular weight of (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid is 172.03473 g/mol.
Where can I buy (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid?
You can request a quote for (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.