Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester
TL;DR: Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester (CAS 10290-01-4) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylethyl 2-hydroxy-2-methylpropanoate
Also Known As: 2-phenylethyl 2-hydroxy-2-methylpropanoate, 2-Phenylethyl alpha-hydroxyisobutyrate, phenethyl 2-hydroxy-2-methylpropanoate, alpha-Hydroxyisobutyric acid 2-phenylethyl ester, 2-PHENYLETHYL A-HYDROXYISOBUTYRATE
Technical Specifications
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.10994 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 Da |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
| SMILES | CC(C)(C(=O)OCCC1=CC=CC=C1)O |
| InChIKey | KMIPJIHGWNMYRS-UHFFFAOYSA-N |
Chemical Property Profile of Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester
Property Insights of Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester 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 Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester?
The CAS number of Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester is 10290-01-4.
What is the molecular formula of Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester?
The molecular formula of Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester is C12H16O3.
What is the molecular weight of Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester?
The molecular weight of Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester is 208.10994 g/mol.
Where can I buy Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester?
You can request a quote for Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester?
Yes, CoreyChem provides custom synthesis services for Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.