3-Hydroxyisobutyric acid
TL;DR: 3-Hydroxyisobutyric acid (CAS 2068-83-9) is a chemical compound with molecular formula C4H8O3 and molecular weight 104.04734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-2-methylpropanoic acid
Also Known As: 3-Hydroxyisobutyric acid, 3-Hydroxy-2-methylpropanoic acid, Acetonate, AzureII, rac 3-Hydroxyisobutyric Acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8O3 |
| Molecular Weight | 104.04734 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.04734 Da |
| Heavy Atoms | 7 |
| Complexity | 69.0 |
| SMILES | CC(CO)C(=O)O |
| InChIKey | DBXBTMSZEOQQDU-UHFFFAOYSA-N |
Product Description
Applications: 3-Hydroxyisobutyric acid is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, 3-Hydroxyisobutyric acid (CAS 2068-83-9) has the molecular formula C4H8O3 and a molecular weight of 104.05 g/mol. Synonyms include 3-Hydroxyisobutyric acid and 3-Hydroxy-2-methylpropanoic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Hydroxyisobutyric acid
Property Insights of 3-Hydroxyisobutyric acid
The XLogP value of -0.4 indicates that 3-Hydroxyisobutyric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Hydroxyisobutyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxyisobutyric 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 3-Hydroxyisobutyric acid?
The CAS number of 3-Hydroxyisobutyric acid is 2068-83-9.
What is the molecular formula of 3-Hydroxyisobutyric acid?
The molecular formula of 3-Hydroxyisobutyric acid is C4H8O3.
What is the molecular weight of 3-Hydroxyisobutyric acid?
The molecular weight of 3-Hydroxyisobutyric acid is 104.04734 g/mol.
What are the applications of 3-Hydroxyisobutyric acid?
3-Hydroxyisobutyric acid is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy 3-Hydroxyisobutyric acid?
You can request a quote for 3-Hydroxyisobutyric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxyisobutyric acid?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxyisobutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.