Ethyl 2-hydroxy-2-methylbutyrate
TL;DR: Ethyl 2-hydroxy-2-methylbutyrate (CAS 77-70-3) is a chemical compound with molecular formula C7H14O3 and molecular weight 146.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-hydroxy-2-methylbutanoate
Also Known As: Ethyl 2-hydroxy-2-methylbutanoate, Ethyl 2-hydroxy-2-methylbutyrate, 2-Hydroxypropyl butyrate, Butanoic acid, 2-hydroxy-2-methyl-, ethyl ester, FEMA NO. 4268
| Molecular Formula | C7H14O3 |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.0943 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
| Density | 0.964-0.974 |
| Solubility | Sparingly soluble in water; soluble in most non-polar organic solvents |
| Refractive Index | 1.409-1.416 |
Chemical Identifiers
| CAS Number | 77-70-3 |
|---|---|
| SMILES | CCC(C)(C(=O)OCC)O |
| InChIKey | KIYWRWLZHQZKKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-hydroxy-2-methylbutyrate (CAS 77-70-3), with molecular formula C7H14O3 and molecular weight 146.09 g/mol. IUPAC: ethyl 2-hydroxy-2-methylbutanoate.
Chemical Property Profile of Ethyl 2-hydroxy-2-methylbutyrate
Property Insights of Ethyl 2-hydroxy-2-methylbutyrate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-hydroxy-2-methylbutyrate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 2-hydroxy-2-methylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-hydroxy-2-methylbutyrate 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 Ethyl 2-hydroxy-2-methylbutyrate?
The CAS number of Ethyl 2-hydroxy-2-methylbutyrate is 77-70-3.
What is the molecular formula of Ethyl 2-hydroxy-2-methylbutyrate?
The molecular formula of Ethyl 2-hydroxy-2-methylbutyrate is C7H14O3.
What is the molecular weight of Ethyl 2-hydroxy-2-methylbutyrate?
The molecular weight of Ethyl 2-hydroxy-2-methylbutyrate is 146.09 g/mol.
Where can I buy Ethyl 2-hydroxy-2-methylbutyrate?
You can request a quote for Ethyl 2-hydroxy-2-methylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-hydroxy-2-methylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-hydroxy-2-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.