Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester
TL;DR: Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester (CAS 17564-81-7) is a chemical compound with molecular formula C18H23F3O3 and molecular weight 344.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3,5-trimethylcyclohexyl) 2-[3-(trifluoromethyl)phenoxy]acetate
Also Known As: (3-(Trifluoromethyl)phenoxy)acetic acid 3,3,5-trimethylcyclohexyl ester, ACETIC ACID, (3-(TRIFLUOROMETHYL)PHENOXY)-, 3,3,5-TRIMETHYLCYCLOHEXYL ESTER, 3,3,5-trimethylcyclohexyl [3-(trifluoromethyl)phenoxy]acetate, (3,3,5-trimethylcyclohexyl) 2-[3-(trifluoromethyl)phenoxy]acetate, BRN 2008996
| Molecular Formula | C18H23F3O3 |
|---|---|
| Molecular Weight | 344.16 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.15994 |
| Heavy Atoms | 24 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 17564-81-7 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)OC(=O)COC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | GNZUTADJQOWUFX-UHFFFAOYSA-N |
Product Overview
Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester (CAS 17564-81-7), with molecular formula C18H23F3O3 and molecular weight 344.16 g/mol. IUPAC: (3,3,5-trimethylcyclohexyl) 2-[3-(trifluoromethyl)phenoxy]acetate.
Chemical Property Profile of Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester
Property Insights of Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester
The XLogP value of 5.8 indicates that Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester?
The CAS number of Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester is 17564-81-7.
What is the molecular formula of Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester?
The molecular formula of Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester is C18H23F3O3.
What is the molecular weight of Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester?
The molecular weight of Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester is 344.16 g/mol.
Where can I buy Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester?
You can request a quote for Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.