5-Chloro-2,2-diphenylpentanenitrile
TL;DR: 5-Chloro-2,2-diphenylpentanenitrile (CAS 1585-11-1) is a chemical compound with molecular formula C17H16ClN and molecular weight 269.09714 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2,2-diphenylpentanenitrile
Also Known As: 5-chloro-2,2-diphenylpentanenitrile, 2,2-diphenyl-5-chlorovaleronitrile, 2,2-Diphenyl-5-chloropentanenitrile, J1.540.227J
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H16ClN |
| Molecular Weight | 269.09714 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.09714 Da |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
| SMILES | C1=CC=C(C=C1)C(CCCCl)(C#N)C2=CC=CC=C2 |
| InChIKey | FVQDPIBHRIMTMX-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-2,2-diphenylpentanenitrile
Property Insights of 5-Chloro-2,2-diphenylpentanenitrile
The XLogP value of 4.4 indicates that 5-Chloro-2,2-diphenylpentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 5-Chloro-2,2-diphenylpentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2,2-diphenylpentanenitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Chloro-2,2-diphenylpentanenitrile?
The CAS number of 5-Chloro-2,2-diphenylpentanenitrile is 1585-11-1.
What is the molecular formula of 5-Chloro-2,2-diphenylpentanenitrile?
The molecular formula of 5-Chloro-2,2-diphenylpentanenitrile is C17H16ClN.
What is the molecular weight of 5-Chloro-2,2-diphenylpentanenitrile?
The molecular weight of 5-Chloro-2,2-diphenylpentanenitrile is 269.09714 g/mol.
Where can I buy 5-Chloro-2,2-diphenylpentanenitrile?
You can request a quote for 5-Chloro-2,2-diphenylpentanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-2,2-diphenylpentanenitrile?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-2,2-diphenylpentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.