Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester
TL;DR: Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester (CAS 58327-13-2) is a chemical compound with molecular formula C18H25FO3 and molecular weight 308.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3,5-trimethylcyclohexyl) 2-(4-fluorophenoxy)propanoate
Also Known As: 2-(4-Fluorophenoxy)propanoic acid 3,3,5-trimethylcyclohexyl ester, Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester, 3,3,5-Trimethylcyclohexyl 2-(4-fluorophenoxy)propanoate, (3,3,5-trimethylcyclohexyl) 2-(4-fluorophenoxy)propanoate, RefChem:1096852
| Molecular Formula | C18H25FO3 |
|---|---|
| Molecular Weight | 308.18 g/mol |
| LogP | 4.351 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.17877 |
| Heavy Atoms | 22 |
| Complexity | 509.56848 |
Chemical Identifiers
| CAS Number | 58327-13-2 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)OC(=O)C(C)OC2=CC=C(C=C2)F |
Product Overview
Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester (CAS 58327-13-2), with molecular formula C18H25FO3 and molecular weight 308.18 g/mol. IUPAC: (3,3,5-trimethylcyclohexyl) 2-(4-fluorophenoxy)propanoate.
Chemical Property Profile of Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester
Property Insights of Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester
The XLogP value of 4.351 indicates that Propanoic acid, 2-(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 35.53 Ų, Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester 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 Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester?
The CAS number of Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester is 58327-13-2.
What is the molecular formula of Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester?
The molecular formula of Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester is C18H25FO3.
What is the molecular weight of Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester?
The molecular weight of Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester is 308.18 g/mol.
Where can I buy Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester?
You can request a quote for Propanoic acid, 2-(4-fluorophenoxy)-, 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 Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.