Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans-
TL;DR: Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans- (CAS 62439-33-2) is a chemical compound with molecular formula C17H21NO2 and molecular weight 271.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) 4-propylcyclohexane-1-carboxylate
Also Known As: 4-Cyanophenyl trans-4-propylcyclohexanecarboxylate, 4-Cyanophenyl 4-propylcyclohexanecarboxylate, Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans-, trans-4-Cyanophenyl 4-propylcyclohexanecarboxylate, (4-cyanophenyl) 4-propylcyclohexane-1-carboxylate
| Molecular Formula | C17H21NO2 |
|---|---|
| Molecular Weight | 271.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.15723 |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 62439-33-2 |
|---|---|
| SMILES | CCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C#N |
| InChIKey | LXVTVIQMKOLVSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans- (CAS 62439-33-2), with molecular formula C17H21NO2 and molecular weight 271.16 g/mol. IUPAC: (4-cyanophenyl) 4-propylcyclohexane-1-carboxylate.
Chemical Property Profile of Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans-
Property Insights of Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans-
The XLogP value of 4.8 indicates that Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans- 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 Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans-?
The CAS number of Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans- is 62439-33-2.
What is the molecular formula of Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans-?
The molecular formula of Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans- is C17H21NO2.
What is the molecular weight of Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans-?
The molecular weight of Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans- is 271.16 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans-?
You can request a quote for Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans- 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-propyl-, 4-cyanophenyl ester, trans-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.