4-(trans-4-Butylcyclohexyl)benzonitrile
TL;DR: 4-(trans-4-Butylcyclohexyl)benzonitrile (CAS 61204-00-0) is a chemical compound with molecular formula C17H23N and molecular weight 241.18304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-butylcyclohexyl)benzonitrile
Also Known As: 4-(trans-4-butylcyclohexyl)benzonitrile, 4-(4-Butylcyclohexyl)benzonitrile, 4cHCP, PCH4, 4- BENZONITRILE
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H23N |
| Molecular Weight | 241.18304 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.18304 Da |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
| SMILES | CCCCC1CCC(CC1)C2=CC=C(C=C2)C#N |
| InChIKey | YYAVXASAKUOZJJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(trans-4-Butylcyclohexyl)benzonitrile
Property Insights of 4-(trans-4-Butylcyclohexyl)benzonitrile
The XLogP value of 6.1 indicates that 4-(trans-4-Butylcyclohexyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 4-(trans-4-Butylcyclohexyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(trans-4-Butylcyclohexyl)benzonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(trans-4-Butylcyclohexyl)benzonitrile?
The CAS number of 4-(trans-4-Butylcyclohexyl)benzonitrile is 61204-00-0.
What is the molecular formula of 4-(trans-4-Butylcyclohexyl)benzonitrile?
The molecular formula of 4-(trans-4-Butylcyclohexyl)benzonitrile is C17H23N.
What is the molecular weight of 4-(trans-4-Butylcyclohexyl)benzonitrile?
The molecular weight of 4-(trans-4-Butylcyclohexyl)benzonitrile is 241.18304 g/mol.
Where can I buy 4-(trans-4-Butylcyclohexyl)benzonitrile?
You can request a quote for 4-(trans-4-Butylcyclohexyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(trans-4-Butylcyclohexyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(trans-4-Butylcyclohexyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.