Triethyl ortho(3-(trifluoromethyl)benzoate)
TL;DR: Triethyl ortho(3-(trifluoromethyl)benzoate) (CAS 59118-34-2) is a chemical compound with molecular formula C14H19F3O3 and molecular weight 292.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(triethoxymethyl)-3-(trifluoromethyl)benzene
Also Known As: TRIETHYL ORTHO(3-(TRIFLUOROMETHYL)BENZOATE), 1-(triethoxymethyl)-3-(trifluoromethyl)benzene, 668-152-6, RefChem:899478
| Molecular Formula | C14H19F3O3 |
|---|---|
| Molecular Weight | 292.13 g/mol |
| LogP | 3.9252 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.12863 |
| Heavy Atoms | 20 |
| Complexity | 401.35077 |
Chemical Identifiers
| CAS Number | 59118-34-2 |
|---|---|
| SMILES | CCOC(C1=CC(=CC=C1)C(F)(F)F)(OCC)OCC |
Product Overview
Triethyl ortho(3-(trifluoromethyl)benzoate) (CAS 59118-34-2), with molecular formula C14H19F3O3 and molecular weight 292.13 g/mol. IUPAC: 1-(triethoxymethyl)-3-(trifluoromethyl)benzene.
Chemical Property Profile of Triethyl ortho(3-(trifluoromethyl)benzoate)
Property Insights of Triethyl ortho(3-(trifluoromethyl)benzoate)
The XLogP value of 3.9252 indicates that Triethyl ortho(3-(trifluoromethyl)benzoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.69 Ų, Triethyl ortho(3-(trifluoromethyl)benzoate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triethyl ortho(3-(trifluoromethyl)benzoate) has 0 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 Triethyl ortho(3-(trifluoromethyl)benzoate)?
The CAS number of Triethyl ortho(3-(trifluoromethyl)benzoate) is 59118-34-2.
What is the molecular formula of Triethyl ortho(3-(trifluoromethyl)benzoate)?
The molecular formula of Triethyl ortho(3-(trifluoromethyl)benzoate) is C14H19F3O3.
What is the molecular weight of Triethyl ortho(3-(trifluoromethyl)benzoate)?
The molecular weight of Triethyl ortho(3-(trifluoromethyl)benzoate) is 292.13 g/mol.
Where can I buy Triethyl ortho(3-(trifluoromethyl)benzoate)?
You can request a quote for Triethyl ortho(3-(trifluoromethyl)benzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl ortho(3-(trifluoromethyl)benzoate)?
Yes, KEHONG BIO provides custom synthesis services for Triethyl ortho(3-(trifluoromethyl)benzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.