Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester
TL;DR: Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester (CAS 79912-83-7) is a chemical compound with molecular formula C18H25FO2 and molecular weight 292.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl) 4-pentylcyclohexane-1-carboxylate
Also Known As: Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester, 4-Fluorophenyl 4-pentylcyclohexanecarboxylate, (4-fluorophenyl) 4-pentylcyclohexane-1-carboxylate, J1.471.410C, 4-Fluorophenyl 4-pentylcyclohexanecarboxylate #
| Molecular Formula | C18H25FO2 |
|---|---|
| Molecular Weight | 292.18 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.18387 |
| Heavy Atoms | 21 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 79912-83-7 |
|---|---|
| SMILES | CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)F |
| InChIKey | MHHQNFQAYOMTRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester (CAS 79912-83-7), with molecular formula C18H25FO2 and molecular weight 292.18 g/mol. IUPAC: (4-fluorophenyl) 4-pentylcyclohexane-1-carboxylate.
Chemical Property Profile of Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester
Property Insights of Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester
The XLogP value of 6.3 indicates that Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester 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 Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester?
The CAS number of Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester is 79912-83-7.
What is the molecular formula of Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester?
The molecular formula of Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester is C18H25FO2.
What is the molecular weight of Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester?
The molecular weight of Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester is 292.18 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester?
You can request a quote for Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 4-pentyl-, 4-fluorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.