Ethyl 3-hydroxy-3-methylbutyrate
TL;DR: Ethyl 3-hydroxy-3-methylbutyrate (CAS 18267-36-2) 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 3-hydroxy-3-methylbutanoate
Also Known As: Ethyl 3-hydroxy-3-methylbutanoate, Ethyl 3-hydroxy-3-methylbutyrate, ethyl 3-hydroxyisovalerate, Ethyl -hydroxyisovalerate, Ethyl3-hydroxy-3-methylbutanoate
| Molecular Formula | C7H14O3 |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 0.4 |
| 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 | 118.0 |
Chemical Identifiers
| CAS Number | 18267-36-2 |
|---|---|
| SMILES | CCOC(=O)CC(C)(C)O |
| InChIKey | HKEDUIGHSRRIKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-hydroxy-3-methylbutyrate (CAS 18267-36-2), with molecular formula C7H14O3 and molecular weight 146.09 g/mol. IUPAC: ethyl 3-hydroxy-3-methylbutanoate.
Chemical Property Profile of Ethyl 3-hydroxy-3-methylbutyrate
Property Insights of Ethyl 3-hydroxy-3-methylbutyrate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxy-3-methylbutyrate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-hydroxy-3-methylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxy-3-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 3-hydroxy-3-methylbutyrate?
The CAS number of Ethyl 3-hydroxy-3-methylbutyrate is 18267-36-2.
What is the molecular formula of Ethyl 3-hydroxy-3-methylbutyrate?
The molecular formula of Ethyl 3-hydroxy-3-methylbutyrate is C7H14O3.
What is the molecular weight of Ethyl 3-hydroxy-3-methylbutyrate?
The molecular weight of Ethyl 3-hydroxy-3-methylbutyrate is 146.09 g/mol.
Where can I buy Ethyl 3-hydroxy-3-methylbutyrate?
You can request a quote for Ethyl 3-hydroxy-3-methylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-hydroxy-3-methylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxy-3-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.