Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate
TL;DR: Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate (CAS 7594-51-6) is a chemical compound with molecular formula C5H4F6O3 and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
Also Known As: starbld0009937, Methyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate, methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate, J2.383.108B, methyl 2-hydroxy-3,3,3-trifluoro-2-trifluoromethylpropionate
| Molecular Formula | C5H4F6O3 |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 1.0151 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.00647 |
| Heavy Atoms | 14 |
| Complexity | 214.60193 |
Chemical Identifiers
| CAS Number | 7594-51-6 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(C(F)(F)F)O |
Product Overview
Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate (CAS 7594-51-6), with molecular formula C5H4F6O3 and molecular weight 226.01 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate.
Chemical Property Profile of Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate
Property Insights of Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate
The XLogP value of 1.0151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate 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 Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate?
The CAS number of Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate is 7594-51-6.
What is the molecular formula of Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate?
The molecular formula of Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate is C5H4F6O3.
What is the molecular weight of Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate?
The molecular weight of Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate is 226.01 g/mol.
Where can I buy Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate?
You can request a quote for Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.