4-Fluorophenyl 4-heptylcyclohexanecarboxylate
TL;DR: 4-Fluorophenyl 4-heptylcyclohexanecarboxylate (CAS 79912-85-9) is a chemical compound with molecular formula C20H29FO2 and molecular weight 320.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl) 4-heptylcyclohexane-1-carboxylate
Also Known As: 4-Fluorophenyl 4-heptylcyclohexanecarboxylate, (4-fluorophenyl) 4-heptylcyclohexane-1-carboxylate, 4-Fluorophenyl 4-heptylcyclohexanecarboxylate #, 4-Fluorophenyl 4-heptylcyclohexane-1-carboxylate, Cyclohexanecarboxylic acid, 4-heptyl-, 4-fluorophenyl ester
| Molecular Formula | C20H29FO2 |
|---|---|
| Molecular Weight | 320.22 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 320.21515 |
| Heavy Atoms | 23 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 79912-85-9 |
|---|---|
| SMILES | CCCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)F |
| InChIKey | LSDPYLPHCDWCEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluorophenyl 4-heptylcyclohexanecarboxylate (CAS 79912-85-9), with molecular formula C20H29FO2 and molecular weight 320.22 g/mol. IUPAC: (4-fluorophenyl) 4-heptylcyclohexane-1-carboxylate.
Chemical Property Profile of 4-Fluorophenyl 4-heptylcyclohexanecarboxylate
Property Insights of 4-Fluorophenyl 4-heptylcyclohexanecarboxylate
The XLogP value of 7.4 indicates that 4-Fluorophenyl 4-heptylcyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Fluorophenyl 4-heptylcyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorophenyl 4-heptylcyclohexanecarboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Fluorophenyl 4-heptylcyclohexanecarboxylate?
The CAS number of 4-Fluorophenyl 4-heptylcyclohexanecarboxylate is 79912-85-9.
What is the molecular formula of 4-Fluorophenyl 4-heptylcyclohexanecarboxylate?
The molecular formula of 4-Fluorophenyl 4-heptylcyclohexanecarboxylate is C20H29FO2.
What is the molecular weight of 4-Fluorophenyl 4-heptylcyclohexanecarboxylate?
The molecular weight of 4-Fluorophenyl 4-heptylcyclohexanecarboxylate is 320.22 g/mol.
Where can I buy 4-Fluorophenyl 4-heptylcyclohexanecarboxylate?
You can request a quote for 4-Fluorophenyl 4-heptylcyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenyl 4-heptylcyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenyl 4-heptylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.