Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester
TL;DR: Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester (CAS 87592-61-8) is a chemical compound with molecular formula C22H25FO2 and molecular weight 340.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-fluorophenyl) 4-(4-propylcyclohexyl)benzoate
Also Known As: 3-Fluorophenyl 4-(4-propylcyclohexyl)benzoate, (3-fluorophenyl) 4-(4-propylcyclohexyl)benzoate, 3-Fluorophenyl 4'-trans-propylcyclohexylbenzoate, 3-Fluorophenyl 4-(4-propylcyclohexyl)benzoate #, Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester
| Molecular Formula | C22H25FO2 |
|---|---|
| Molecular Weight | 340.18 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.18387 |
| Heavy Atoms | 25 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 87592-61-8 |
|---|---|
| SMILES | CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=CC=C3)F |
| InChIKey | XQLDYDZJSLTKSN-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester (CAS 87592-61-8), with molecular formula C22H25FO2 and molecular weight 340.18 g/mol. IUPAC: (3-fluorophenyl) 4-(4-propylcyclohexyl)benzoate.
Chemical Property Profile of Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester
Property Insights of Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester
The XLogP value of 7.3 indicates that Benzoic acid, 4-(4-propylcyclohexyl)-, 3-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, Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(4-propylcyclohexyl)-, 3-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 Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester?
The CAS number of Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester is 87592-61-8.
What is the molecular formula of Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester?
The molecular formula of Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester is C22H25FO2.
What is the molecular weight of Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester?
The molecular weight of Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester is 340.18 g/mol.
Where can I buy Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester?
You can request a quote for Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(4-propylcyclohexyl)-, 3-fluorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.