4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate
TL;DR: 4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate (CAS 82406-82-4) is a chemical compound with molecular formula C31H33NO2 and molecular weight 451.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-cyanophenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate
Also Known As: BAS 00032731, 4-CYANO-4'-BIPHENYLYL 4-(TRANS-4-PENTYLCYCLOHEXYL)BENZOATE, [4-(4-cyanophenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate, 4'-Cyano[1,1'-biphenyl]-4-yl 4-(4-pentylcyclohexyl)benzoate, 4'-Cyano[1,1'-biphenyl]-4-yl 4-(4-pentylcyclohexyl)benzoate #
| Molecular Formula | C31H33NO2 |
|---|---|
| Molecular Weight | 451.25 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.25113 |
| Heavy Atoms | 34 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 82406-82-4 |
|---|---|
| SMILES | CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N |
| InChIKey | QUJHPAZUHOTRRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate (CAS 82406-82-4), with molecular formula C31H33NO2 and molecular weight 451.25 g/mol. IUPAC: [4-(4-cyanophenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate.
Chemical Property Profile of 4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate
Property Insights of 4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate
The XLogP value of 9.6 indicates that 4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate 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-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate 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-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate?
The CAS number of 4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate is 82406-82-4.
What is the molecular formula of 4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate?
The molecular formula of 4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate is C31H33NO2.
What is the molecular weight of 4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate?
The molecular weight of 4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate is 451.25 g/mol.
Where can I buy 4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate?
You can request a quote for 4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-4'-biphenylyl 4-(trans-4-pentylcyclohexyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.