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Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-
TL;DR: Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)- (CAS 167466-83-3) is a chemical compound with molecular formula C22H30FN and molecular weight 327.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzonitrile
Also Known As: 3bcHFCP, Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-, 2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzonitrile, 1-(4-Propylcyclohexyl)-4-(3-fluoro-4-cyanophenyl)cyclohexane, 2-Fluoro-4-[4'-propyl-1,1'-bi(cyclohexyl)-4-yl]benzonitrile
| Molecular Formula | C22H30FN |
|---|---|
| Molecular Weight | 327.24 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.23624 |
| Heavy Atoms | 24 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 167466-83-3 |
|---|---|
| SMILES | CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)C#N)F |
| InChIKey | GMUPOLFWZIYWQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)- (CAS 167466-83-3), with molecular formula C22H30FN and molecular weight 327.24 g/mol. IUPAC: 2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-
Property Insights of Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-
The XLogP value of 8.1 indicates that Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-?
The CAS number of Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)- is 167466-83-3.
What is the molecular formula of Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-?
The molecular formula of Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)- is C22H30FN.
What is the molecular weight of Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-?
The molecular weight of Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)- is 327.24 g/mol.
Where can I buy Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-?
You can request a quote for Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2-fluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.