Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate
TL;DR: Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate (CAS 1297549-70-2) is a chemical compound with molecular formula C7H11F3O2 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3R)-4,4,4-trifluoro-3-methylbutanoate
Also Known As: Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate, Ethyl (3R)-4,4,4-trifluoro-3-methylbutanoate, (R)-Ethyl 4,4,4-trifluoro-3-methylbutanoate, Ethyl (R)-4,4,4-trifluoro-3-methylbutanoate, (+)-ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate
| Molecular Formula | C7H11F3O2 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 2.138 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.07112 |
| Heavy Atoms | 12 |
| Complexity | 153.2207 |
Chemical Identifiers
| CAS Number | 1297549-70-2 |
|---|---|
| SMILES | CCOC(=O)C[C@@H](C)C(F)(F)F |
Product Overview
Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate (CAS 1297549-70-2), with molecular formula C7H11F3O2 and molecular weight 184.07 g/mol. IUPAC: ethyl (3R)-4,4,4-trifluoro-3-methylbutanoate.
Chemical Property Profile of Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate
Property Insights of Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate
The XLogP value of 2.138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate has 0 hydrogen bond donor(s) and 2 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(3R)-4,4,4-trifluoro-3-methylbutanoate?
The CAS number of Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate is 1297549-70-2.
What is the molecular formula of Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate?
The molecular formula of Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate is C7H11F3O2.
What is the molecular weight of Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate?
The molecular weight of Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate is 184.07 g/mol.
Where can I buy Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate?
You can request a quote for Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl(3R)-4,4,4-trifluoro-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.