(2,3-Dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
TL;DR: (2,3-Dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate (CAS 301320-43-4) is a chemical compound with molecular formula C12H10F6O2 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Also Known As: 2,3-dimethylphenyl 3,3,3-trifluoro-2-(trifluoromethyl)propan, (2,3-dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
| Molecular Formula | C12H10F6O2 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 3.94964 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.0585 |
| Heavy Atoms | 20 |
| Complexity | 489.6495 |
Chemical Identifiers
| CAS Number | 301320-43-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OC(=O)C(C(F)(F)F)C(F)(F)F)C |
Product Overview
(2,3-Dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate (CAS 301320-43-4), with molecular formula C12H10F6O2 and molecular weight 300.06 g/mol. IUPAC: (2,3-dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate.
Chemical Property Profile of (2,3-Dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Property Insights of (2,3-Dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
The XLogP value of 3.94964 indicates that (2,3-Dimethylphenyl) 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, (2,3-Dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,3-Dimethylphenyl) 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 (2,3-Dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The CAS number of (2,3-Dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is 301320-43-4.
What is the molecular formula of (2,3-Dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The molecular formula of (2,3-Dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is C12H10F6O2.
What is the molecular weight of (2,3-Dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The molecular weight of (2,3-Dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is 300.06 g/mol.
Where can I buy (2,3-Dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
You can request a quote for (2,3-Dimethylphenyl) 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 (2,3-Dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (2,3-Dimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.