Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate
TL;DR: Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate (CAS 254895-41-5) is a chemical compound with molecular formula C12H13F3O2 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-2-[3-(trifluoromethyl)phenyl]propanoate
Also Known As: METHYL 2-METHYL-2-(3-(TRIFLUOROMETHYL)PHENYL)PROPANOATE, Methyl 2-methyl-2-[3-(trifluoromethyl)phenyl]propanoate, J1.824.146C, 2-[3-(Trifluoromethyl)phenyl]isobutyric acid methyl ester, Methyl 2-methyl-2-[3-(trifluoromethyl)phenyl]propanoate #
| Molecular Formula | C12H13F3O2 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.08676 |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 254895-41-5 |
|---|---|
| SMILES | CC(C)(C1=CC(=CC=C1)C(F)(F)F)C(=O)OC |
| InChIKey | DGCXNLNTJATMRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate (CAS 254895-41-5), with molecular formula C12H13F3O2 and molecular weight 246.09 g/mol. IUPAC: methyl 2-methyl-2-[3-(trifluoromethyl)phenyl]propanoate.
Chemical Property Profile of Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate
Property Insights of Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate
The XLogP value of 3.5 indicates that Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate has 0 hydrogen bond donor(s) and 5 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 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate?
The CAS number of Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate is 254895-41-5.
What is the molecular formula of Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate?
The molecular formula of Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate is C12H13F3O2.
What is the molecular weight of Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate?
The molecular weight of Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate is 246.09 g/mol.
Where can I buy Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate?
You can request a quote for Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.