4-Cyano-3-hydroxybutanoic acid
TL;DR: 4-Cyano-3-hydroxybutanoic acid (CAS 147028-51-1) is a chemical compound with molecular formula C5H7NO3 and molecular weight 129.04259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-cyano-3-hydroxybutanoic acid
Also Known As: 4-cyano-3-hydroxybutanoic acid, 3-hydroxy-4-cyanobutyric acid, 4-cyano-3-hydroxybutyric acid, 4-cyano-3-hydroxy-butanoic Acid, Butanoic acid, 4-cyano-3-hydroxy-, (3S)-
Technical Specifications
| Molecular Formula | C5H7NO3 |
| Molecular Weight | 129.04259 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 81.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 129.04259 Da |
| Heavy Atoms | 9 |
| Complexity | 146.0 |
| SMILES | C(C#N)C(CC(=O)O)O |
| InChIKey | ADZQCEUEGXRCJY-UHFFFAOYSA-N |
Chemical Property Profile of 4-Cyano-3-hydroxybutanoic acid
Property Insights of 4-Cyano-3-hydroxybutanoic acid
The XLogP value of -1.2 indicates that 4-Cyano-3-hydroxybutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyano-3-hydroxybutanoic acid. Following Lipinski's Rule of Five, 4-Cyano-3-hydroxybutanoic acid has 2 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-Cyano-3-hydroxybutanoic acid?
The CAS number of 4-Cyano-3-hydroxybutanoic acid is 147028-51-1.
What is the molecular formula of 4-Cyano-3-hydroxybutanoic acid?
The molecular formula of 4-Cyano-3-hydroxybutanoic acid is C5H7NO3.
What is the molecular weight of 4-Cyano-3-hydroxybutanoic acid?
The molecular weight of 4-Cyano-3-hydroxybutanoic acid is 129.04259 g/mol.
Where can I buy 4-Cyano-3-hydroxybutanoic acid?
You can request a quote for 4-Cyano-3-hydroxybutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Cyano-3-hydroxybutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Cyano-3-hydroxybutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.