5-Chloro-2-isopropyl-2-phenylvaleronitrile
TL;DR: 5-Chloro-2-isopropyl-2-phenylvaleronitrile (CAS 120353-04-0) is a chemical compound with molecular formula C14H18ClN and molecular weight 235.11278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2-phenyl-2-propan-2-ylpentanenitrile
Also Known As: 5-CHLORO-2-ISOPROPYL-2-PHENYLVALERONITRILE, 5-chloro-2-phenyl-2-propan-2-ylpentanenitrile, 5-chloro-2-phenyl-2-propan-2-yl-pentanenitrile, 662-788-8
Technical Specifications
| Molecular Formula | C14H18ClN |
| Molecular Weight | 235.11278 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.11278 Da |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
| SMILES | CC(C)C(CCCCl)(C#N)C1=CC=CC=C1 |
| InChIKey | ZEBBBMKDBQGOBI-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-2-isopropyl-2-phenylvaleronitrile
Property Insights of 5-Chloro-2-isopropyl-2-phenylvaleronitrile
The XLogP value of 4.1 indicates that 5-Chloro-2-isopropyl-2-phenylvaleronitrile 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-isopropyl-2-phenylvaleronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-isopropyl-2-phenylvaleronitrile 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-isopropyl-2-phenylvaleronitrile?
The CAS number of 5-Chloro-2-isopropyl-2-phenylvaleronitrile is 120353-04-0.
What is the molecular formula of 5-Chloro-2-isopropyl-2-phenylvaleronitrile?
The molecular formula of 5-Chloro-2-isopropyl-2-phenylvaleronitrile is C14H18ClN.
What is the molecular weight of 5-Chloro-2-isopropyl-2-phenylvaleronitrile?
The molecular weight of 5-Chloro-2-isopropyl-2-phenylvaleronitrile is 235.11278 g/mol.
Where can I buy 5-Chloro-2-isopropyl-2-phenylvaleronitrile?
You can request a quote for 5-Chloro-2-isopropyl-2-phenylvaleronitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-2-isopropyl-2-phenylvaleronitrile?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-2-isopropyl-2-phenylvaleronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.