Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
TL;DR: Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate (CAS 77611-72-4) is a chemical compound with molecular formula C11H11F3O3 and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Also Known As: Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate, methyl, A-methoxy-, A-trifluoromethylphenylacetate, alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid methyl ester
| Molecular Formula | C11H11F3O3 |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.06602 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 77611-72-4 |
|---|---|
| SMILES | COC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC |
| InChIKey | RGACWXDYKJJHSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate (CAS 77611-72-4), with molecular formula C11H11F3O3 and molecular weight 248.07 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate.
Chemical Property Profile of Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Property Insights of Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate has 0 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 Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
The CAS number of Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate is 77611-72-4.
What is the molecular formula of Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
The molecular formula of Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate is C11H11F3O3.
What is the molecular weight of Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
The molecular weight of Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate is 248.07 g/mol.
Where can I buy Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
You can request a quote for Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate 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-methoxy-2-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.