p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate
TL;DR: p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate (CAS 59662-53-2) is a chemical compound with molecular formula C25H23NO2 and molecular weight 369.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) 4-(4-pentylphenyl)benzoate
Also Known As: p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate, (4-cyanophenyl) 4-(4-pentylphenyl)benzoate, 4'-Pentyl-4-biphenylcarboxylicacidp-cyanophenylester, 4-Cyanophenyl 4'-pentyl[1,1'-biphenyl]-4-carboxylate, 4 -Pentyl-4-biphenylcarboxylic acid p-cyanophenyl ester
| Molecular Formula | C25H23NO2 |
|---|---|
| Molecular Weight | 369.17 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 369.17288 |
| Heavy Atoms | 28 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 59662-53-2 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N |
| InChIKey | PNIRCWHBPMROLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate (CAS 59662-53-2), with molecular formula C25H23NO2 and molecular weight 369.17 g/mol. IUPAC: (4-cyanophenyl) 4-(4-pentylphenyl)benzoate.
Chemical Property Profile of p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate
Property Insights of p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate
The XLogP value of 7.1 indicates that p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate 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 p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate?
The CAS number of p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate is 59662-53-2.
What is the molecular formula of p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate?
The molecular formula of p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate is C25H23NO2.
What is the molecular weight of p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate?
The molecular weight of p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate is 369.17 g/mol.
Where can I buy p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate?
You can request a quote for p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate?
Yes, KEHONG BIO provides custom synthesis services for p-Cyanophenyl 4'-pentyl-4-biphenylcarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.