4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate
TL;DR: 4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate (CAS 62439-35-4) is a chemical compound with molecular formula C19H25NO2 and molecular weight 299.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) 4-pentylcyclohexane-1-carboxylate
Also Known As: 4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate, 4-Cyanophenyl 4-pentylcyclohexanecarboxylate, trans-4-Cyanophenyl 4-pentylcyclohexanecarboxylate, (4-cyanophenyl) 4-pentylcyclohexane-1-carboxylate, JRNQQLWJXYJSRU-UHFFFAOYSA-
| Molecular Formula | C19H25NO2 |
|---|---|
| Molecular Weight | 299.19 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.18854 |
| Heavy Atoms | 22 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 62439-35-4 |
|---|---|
| SMILES | CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C#N |
| InChIKey | JRNQQLWJXYJSRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate (CAS 62439-35-4), with molecular formula C19H25NO2 and molecular weight 299.19 g/mol. IUPAC: (4-cyanophenyl) 4-pentylcyclohexane-1-carboxylate.
Chemical Property Profile of 4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate
Property Insights of 4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate
The XLogP value of 5.9 indicates that 4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate 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-Cyanophenyl trans-4-pentylcyclohexanecarboxylate?
The CAS number of 4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate is 62439-35-4.
What is the molecular formula of 4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate?
The molecular formula of 4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate is C19H25NO2.
What is the molecular weight of 4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate?
The molecular weight of 4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate is 299.19 g/mol.
Where can I buy 4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate?
You can request a quote for 4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.