Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate
TL;DR: Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate (CAS 92491-50-4) is a chemical compound with molecular formula C7H11F3O3 and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4,4-trifluoro-3-hydroxy-2-methylbutanoate
Also Known As: Ethyl 2-methyl-3-hydroxy-4,4,4-trifluorobutyrate, Ethyl 4,4,4-trifluoro-3-hydroxy-2-methylbutanoate, ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate, 5-Fluoro-2-methylphenylacetic acid, 3131AF
| Molecular Formula | C7H11F3O3 |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.06602 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 92491-50-4 |
|---|---|
| SMILES | CCOC(=O)C(C)C(C(F)(F)F)O |
| InChIKey | MFRIOKNLYRUYHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate (CAS 92491-50-4), with molecular formula C7H11F3O3 and molecular weight 200.07 g/mol. IUPAC: ethyl 4,4,4-trifluoro-3-hydroxy-2-methylbutanoate.
Chemical Property Profile of Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate
Property Insights of Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate has 1 hydrogen bond donor(s) and 6 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-2-methyl-4,4,4-trifluorobutyrate?
The CAS number of Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate is 92491-50-4.
What is the molecular formula of Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate?
The molecular formula of Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate is C7H11F3O3.
What is the molecular weight of Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate?
The molecular weight of Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate is 200.07 g/mol.
Where can I buy Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate?
You can request a quote for Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate 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-2-methyl-4,4,4-trifluorobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.