Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester
TL;DR: Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester (CAS 58327-09-6) is a chemical compound with molecular formula C17H23FO3 and molecular weight 294.16312 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,3,5-trimethylcyclohexyl) 2-(4-fluorophenoxy)acetate
Also Known As: 4-FLUOROPHENOXYACETIC ACID, (4-Fluorophenoxy)acetic acid 3,3,5-trimethylcyclohexyl ester, 3,3,5-trimethylcyclohexyl (4-fluorophenoxy)acetate, Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethyl, Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester
Technical Specifications
| Molecular Formula | C17H23FO3 |
| Molecular Weight | 294.16312 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.16312 Da |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
| SMILES | CC1CC(CC(C1)(C)C)OC(=O)COC2=CC=C(C=C2)F |
| InChIKey | ZHUVVZYKDYFWJP-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester
Property Insights of Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester
The XLogP value of 5.0 indicates that Acetic acid, (4-fluorophenoxy)-, 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, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester?
The CAS number of Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester is 58327-09-6.
What is the molecular formula of Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester?
The molecular formula of Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester is C17H23FO3.
What is the molecular weight of Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester?
The molecular weight of Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester is 294.16312 g/mol.
Where can I buy Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester?
You can request a quote for Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, (4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.