2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
TL;DR: 2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate (CAS 301320-44-5) is a chemical compound with molecular formula C13H12F6O2 and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-trimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Also Known As: 2,4,6-trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate, mesityl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate (en)Pr, (2,4,6-trimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
| Molecular Formula | C13H12F6O2 |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 4.25806 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.07416 |
| Heavy Atoms | 21 |
| Complexity | 507.56808 |
Chemical Identifiers
| CAS Number | 301320-44-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)OC(=O)C(C(F)(F)F)C(F)(F)F)C |
Product Overview
2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate (CAS 301320-44-5), with molecular formula C13H12F6O2 and molecular weight 314.07 g/mol. IUPAC: (2,4,6-trimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate.
Chemical Property Profile of 2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Property Insights of 2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
The XLogP value of 4.25806 indicates that 2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)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, 2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate 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 2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The CAS number of 2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is 301320-44-5.
What is the molecular formula of 2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The molecular formula of 2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is C13H12F6O2.
What is the molecular weight of 2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The molecular weight of 2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is 314.07 g/mol.
Where can I buy 2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
You can request a quote for 2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.