2-Ethylhexyl 4-(trifluoromethyl)benzoate
TL;DR: 2-Ethylhexyl 4-(trifluoromethyl)benzoate (CAS 59986-40-2) is a chemical compound with molecular formula C16H21F3O2 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 4-(trifluoromethyl)benzoate
Also Known As: 2-Ethylhexyl 4-(trifluoromethyl)benzoate, 4-Trifluoromethylbenzoic acid, 2-ethylhexyl ester, 4-Trifluoromethylbenzoicacid,2-ethylhexylester, 2-Ethylhexyl 4-(trifluoromethyl)benzoate #, 4-TRIFLUOROMETHYLBENZOIC ACID 2-ETHYLHEXYL ESTER
| Molecular Formula | C16H21F3O2 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 302.14935 |
| Heavy Atoms | 21 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 59986-40-2 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(F)(F)F |
| InChIKey | HIHUOUKCDYVAST-UHFFFAOYSA-N |
Product Overview
2-Ethylhexyl 4-(trifluoromethyl)benzoate (CAS 59986-40-2), with molecular formula C16H21F3O2 and molecular weight 302.15 g/mol. IUPAC: 2-ethylhexyl 4-(trifluoromethyl)benzoate.
Chemical Property Profile of 2-Ethylhexyl 4-(trifluoromethyl)benzoate
Property Insights of 2-Ethylhexyl 4-(trifluoromethyl)benzoate
The XLogP value of 5.8 indicates that 2-Ethylhexyl 4-(trifluoromethyl)benzoate 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-Ethylhexyl 4-(trifluoromethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl 4-(trifluoromethyl)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Ethylhexyl 4-(trifluoromethyl)benzoate?
The CAS number of 2-Ethylhexyl 4-(trifluoromethyl)benzoate is 59986-40-2.
What is the molecular formula of 2-Ethylhexyl 4-(trifluoromethyl)benzoate?
The molecular formula of 2-Ethylhexyl 4-(trifluoromethyl)benzoate is C16H21F3O2.
What is the molecular weight of 2-Ethylhexyl 4-(trifluoromethyl)benzoate?
The molecular weight of 2-Ethylhexyl 4-(trifluoromethyl)benzoate is 302.15 g/mol.
Where can I buy 2-Ethylhexyl 4-(trifluoromethyl)benzoate?
You can request a quote for 2-Ethylhexyl 4-(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl 4-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl 4-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.