3-Hydroxyisovalerate
TL;DR: 3-Hydroxyisovalerate (CAS 135236-72-5) is a chemical compound with molecular formula C5H9O3- and molecular weight 117.05517 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-3-methylbutanoate
Also Known As: 3-Hydroxyisovalerate, beta-hydroxyisovalerate, 3-hydroxy-3-methylbutanoate, 3-Hydroxy-3-methylbutyrate, 3-hydroxy-3-methyl-butyrate
Technical Specifications
| Molecular Formula | C5H9O3- |
| Molecular Weight | 117.05517 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 117.05517 Da |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
| SMILES | CC(C)(CC(=O)[O-])O |
| InChIKey | AXFYFNCPONWUHW-UHFFFAOYSA-M |
Chemical Property Profile of 3-Hydroxyisovalerate
Property Insights of 3-Hydroxyisovalerate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxyisovalerate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxyisovalerate. Following Lipinski's Rule of Five, 3-Hydroxyisovalerate has 1 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-Hydroxyisovalerate?
The CAS number of 3-Hydroxyisovalerate is 135236-72-5.
What is the molecular formula of 3-Hydroxyisovalerate?
The molecular formula of 3-Hydroxyisovalerate is C5H9O3-.
What is the molecular weight of 3-Hydroxyisovalerate?
The molecular weight of 3-Hydroxyisovalerate is 117.05517 g/mol.
Where can I buy 3-Hydroxyisovalerate?
You can request a quote for 3-Hydroxyisovalerate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxyisovalerate?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxyisovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.