(3S)-4,4,4-trichloro-3-hydroxybutanoic acid
TL;DR: (3S)-4,4,4-trichloro-3-hydroxybutanoic acid (CAS 16493-64-4) is a chemical compound with molecular formula C4H5Cl3O3 and molecular weight 205.93042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-4,4,4-trichloro-3-hydroxybutanoic acid
Also Known As: (3S)-4,4,4-trichloro-3-hydroxybutanoic acid, (S)-4,4,4-trichloro-3-hydroxybutanoic acid, [S,(+)]-4,4,4-Trichloro-3-hydroxybutyric acid, Butanoic acid, 4,4,4-trichloro-3-hydroxy-, (S)-
Technical Specifications
| Molecular Formula | C4H5Cl3O3 |
| Molecular Weight | 205.93042 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.93042 Da |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
| SMILES | C([C@@H](C(Cl)(Cl)Cl)O)C(=O)O |
| InChIKey | PNRIZWCHOZUISE-REOHCLBHSA-N |
Chemical Property Profile of (3S)-4,4,4-trichloro-3-hydroxybutanoic acid
Property Insights of (3S)-4,4,4-trichloro-3-hydroxybutanoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-4,4,4-trichloro-3-hydroxybutanoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, (3S)-4,4,4-trichloro-3-hydroxybutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-4,4,4-trichloro-3-hydroxybutanoic acid has 2 hydrogen bond donor(s) and 3 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-trichloro-3-hydroxybutanoic acid?
The CAS number of (3S)-4,4,4-trichloro-3-hydroxybutanoic acid is 16493-64-4.
What is the molecular formula of (3S)-4,4,4-trichloro-3-hydroxybutanoic acid?
The molecular formula of (3S)-4,4,4-trichloro-3-hydroxybutanoic acid is C4H5Cl3O3.
What is the molecular weight of (3S)-4,4,4-trichloro-3-hydroxybutanoic acid?
The molecular weight of (3S)-4,4,4-trichloro-3-hydroxybutanoic acid is 205.93042 g/mol.
Where can I buy (3S)-4,4,4-trichloro-3-hydroxybutanoic acid?
You can request a quote for (3S)-4,4,4-trichloro-3-hydroxybutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-4,4,4-trichloro-3-hydroxybutanoic acid?
Yes, CoreyChem provides custom synthesis services for (3S)-4,4,4-trichloro-3-hydroxybutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.