(S)-4,4,4-trifluoro-3-methylbutanoic acid
TL;DR: (S)-4,4,4-trifluoro-3-methylbutanoic acid (CAS 1009079-95-1) is a chemical compound with molecular formula C5H7F3O2 and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4,4,4-trifluoro-3-methylbutanoic acid
Also Known As: (S)-4,4,4-trifluoro-3-methylbutanoic acid, (3S)-4,4,4-trifluoro-3-methylbutanoic acid, 4,4,4-trifluoro-3-methyl-butanoic Acid, (3S)-3-Methyl-4,4,4-trifluorobutanoic acid, J2.752.233E
| Molecular Formula | C5H7F3O2 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 1.6595 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.03981 |
| Heavy Atoms | 10 |
| Complexity | 129.34497 |
Chemical Identifiers
| CAS Number | 1009079-95-1 |
|---|---|
| SMILES | C[C@@H](CC(=O)O)C(F)(F)F |
Product Overview
(S)-4,4,4-trifluoro-3-methylbutanoic acid (CAS 1009079-95-1), with molecular formula C5H7F3O2 and molecular weight 156.04 g/mol. IUPAC: (3S)-4,4,4-trifluoro-3-methylbutanoic acid.
Chemical Property Profile of (S)-4,4,4-trifluoro-3-methylbutanoic acid
Property Insights of (S)-4,4,4-trifluoro-3-methylbutanoic acid
The XLogP value of 1.6595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-4,4,4-trifluoro-3-methylbutanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (S)-4,4,4-trifluoro-3-methylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-4,4,4-trifluoro-3-methylbutanoic acid has 1 hydrogen bond donor(s) and 1 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 (S)-4,4,4-trifluoro-3-methylbutanoic acid?
The CAS number of (S)-4,4,4-trifluoro-3-methylbutanoic acid is 1009079-95-1.
What is the molecular formula of (S)-4,4,4-trifluoro-3-methylbutanoic acid?
The molecular formula of (S)-4,4,4-trifluoro-3-methylbutanoic acid is C5H7F3O2.
What is the molecular weight of (S)-4,4,4-trifluoro-3-methylbutanoic acid?
The molecular weight of (S)-4,4,4-trifluoro-3-methylbutanoic acid is 156.04 g/mol.
Where can I buy (S)-4,4,4-trifluoro-3-methylbutanoic acid?
You can request a quote for (S)-4,4,4-trifluoro-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4,4,4-trifluoro-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-4,4,4-trifluoro-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.