(1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester
TL;DR: (1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester (CAS 81701-13-5) is a chemical compound with molecular formula C22H31FO2 and molecular weight 346.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
Also Known As: [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester, (4-fluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate, (trans,trans)-4-Fluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate, trans,trans-4-fluorophenyl 4''-propylbicyclohexyl-4-carboxylate, J1.471.409J
| Molecular Formula | C22H31FO2 |
|---|---|
| Molecular Weight | 346.23 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.2308 |
| Heavy Atoms | 25 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 81701-13-5 |
|---|---|
| SMILES | CCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)F |
| InChIKey | LIALNGUAWCANCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester (CAS 81701-13-5), with molecular formula C22H31FO2 and molecular weight 346.23 g/mol. IUPAC: (4-fluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate.
Chemical Property Profile of (1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester
Property Insights of (1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester
The XLogP value of 7.6 indicates that (1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 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, (1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 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 (1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester?
The CAS number of (1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester is 81701-13-5.
What is the molecular formula of (1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester?
The molecular formula of (1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester is C22H31FO2.
What is the molecular weight of (1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester?
The molecular weight of (1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester is 346.23 g/mol.
Where can I buy (1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester?
You can request a quote for (1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 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 (1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Bicyclohexyl)-4-carboxylic acid, 4'-propyl-, 4-fluorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.