tert-Butyl 2-hydroxyisobutyrate
TL;DR: tert-Butyl 2-hydroxyisobutyrate (CAS 36293-63-7) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-hydroxy-2-methylpropanoate
Also Known As: tert-butyl 2-hydroxy-2-methylpropanoate, tert-Butyl alpha-hydroxyisobutyrate, tert-Butyl 2-hydroxyisobutyrate, t-butyl 2-hydroxyisobutyrate, tert-Butyl
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 36293-63-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(C)(C)O |
| InChIKey | LYFHIDOIJPOKKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl 2-hydroxyisobutyrate (CAS 36293-63-7), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: tert-butyl 2-hydroxy-2-methylpropanoate.
Chemical Property Profile of tert-Butyl 2-hydroxyisobutyrate
Property Insights of tert-Butyl 2-hydroxyisobutyrate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2-hydroxyisobutyrate. With a topological polar surface area (TPSA) of 46.5 Ų, tert-Butyl 2-hydroxyisobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-hydroxyisobutyrate 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
Frequently Asked Questions
What is the CAS number of tert-Butyl 2-hydroxyisobutyrate?
The CAS number of tert-Butyl 2-hydroxyisobutyrate is 36293-63-7.
What is the molecular formula of tert-Butyl 2-hydroxyisobutyrate?
The molecular formula of tert-Butyl 2-hydroxyisobutyrate is C8H16O3.
What is the molecular weight of tert-Butyl 2-hydroxyisobutyrate?
The molecular weight of tert-Butyl 2-hydroxyisobutyrate is 160.11 g/mol.
Where can I buy tert-Butyl 2-hydroxyisobutyrate?
You can request a quote for tert-Butyl 2-hydroxyisobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 2-hydroxyisobutyrate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-hydroxyisobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.