4-Chloro-2,2-diphenyl-3-methylbutyronitrile
TL;DR: 4-Chloro-2,2-diphenyl-3-methylbutyronitrile (CAS 133132-74-8) 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.
4-chloro-3-methyl-2,2-diphenylbutanenitrile
Also Known As: 4-chloro-3-methyl-2,2-diphenylbutanenitrile, NCIOpen2_004989, 4-Chloro-3-methyl-2,2-diphenylbutyronitrile, 4-CHLORO-2,2-DIPHENYL-3-METHYLBUTYRONITRILE, gamma-CHLORO-alpha,alpha-DIPHENYL-beta-METHYLBUTYRONITRILE
Technical Specifications
| Molecular Formula | C17H16ClN |
| Molecular Weight | 269.09714 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.09714 Da |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
| SMILES | CC(CCl)C(C#N)(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | PEHXKUSWSJTMRC-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-2,2-diphenyl-3-methylbutyronitrile
Property Insights of 4-Chloro-2,2-diphenyl-3-methylbutyronitrile
The XLogP value of 4.5 indicates that 4-Chloro-2,2-diphenyl-3-methylbutyronitrile 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-Chloro-2,2-diphenyl-3-methylbutyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2,2-diphenyl-3-methylbutyronitrile 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 4-Chloro-2,2-diphenyl-3-methylbutyronitrile?
The CAS number of 4-Chloro-2,2-diphenyl-3-methylbutyronitrile is 133132-74-8.
What is the molecular formula of 4-Chloro-2,2-diphenyl-3-methylbutyronitrile?
The molecular formula of 4-Chloro-2,2-diphenyl-3-methylbutyronitrile is C17H16ClN.
What is the molecular weight of 4-Chloro-2,2-diphenyl-3-methylbutyronitrile?
The molecular weight of 4-Chloro-2,2-diphenyl-3-methylbutyronitrile is 269.09714 g/mol.
Where can I buy 4-Chloro-2,2-diphenyl-3-methylbutyronitrile?
You can request a quote for 4-Chloro-2,2-diphenyl-3-methylbutyronitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2,2-diphenyl-3-methylbutyronitrile?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2,2-diphenyl-3-methylbutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.