3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate
TL;DR: 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate (CAS 58327-26-7) is a chemical compound with molecular formula C23H26F2O4 and molecular weight 404.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3,5-trimethylcyclohexyl) 2,2-bis(4-fluorophenoxy)acetate
Also Known As: 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate, Bis(4-fluorophenoxy)acetic acid 3,3,5-trimethylcyclohexyl ester, Acetic acid, bis(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester, (3,3,5-trimethylcyclohexyl) 2,2-bis(4-fluorophenoxy)acetate, RefChem:1065581
| Molecular Formula | C23H26F2O4 |
|---|---|
| Molecular Weight | 404.18 g/mol |
| LogP | 5.5067 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.1799 |
| Heavy Atoms | 29 |
| Complexity | 770.2764 |
Chemical Identifiers
| CAS Number | 58327-26-7 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)OC(=O)C(OC2=CC=C(C=C2)F)OC3=CC=C(C=C3)F |
Product Overview
3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate (CAS 58327-26-7), with molecular formula C23H26F2O4 and molecular weight 404.18 g/mol. IUPAC: (3,3,5-trimethylcyclohexyl) 2,2-bis(4-fluorophenoxy)acetate.
Chemical Property Profile of 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate
Property Insights of 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate
The XLogP value of 5.5067 indicates that 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate?
The CAS number of 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate is 58327-26-7.
What is the molecular formula of 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate?
The molecular formula of 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate is C23H26F2O4.
What is the molecular weight of 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate?
The molecular weight of 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate is 404.18 g/mol.
Where can I buy 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate?
You can request a quote for 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.