2-Chloroisobutyronitrile
TL;DR: 2-Chloroisobutyronitrile (CAS 33310-57-5) is a chemical compound with molecular formula C44H59N3 and molecular weight 629.4709 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-N-[4-methyl-2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)pentyl]-2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)pentan-1-imine
Also Known As: 2-Chloroisobutyronitrile, Pyrrolidine, 1,1'-(delta,delta'-nitriloditetramethylene)bis(gamma-isobutyl-gamma-(1-naphthyl)-, 4-methyl-N-[4-methyl-2-naphthalen-1-yl-2-(2-pyrrolidin-1-yle, 4-methyl-N-[4-methyl-2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)pentyl]-2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)pentan-1-imine, Pyrrolidine, 1-(5-methyl-3-(N-(4-methyl-2-(1-naphthyl)-2-(2-(1-pyrrolidinyl)ethyl)pentyl)formimidoyl)-3-(1-naphthyl)hexyl)-
Technical Specifications
| Molecular Formula | C44H59N3 |
| Molecular Weight | 629.4709 g/mol |
| XLogP | 10.7 |
| Topological Polar Surface Area (TPSA) | 18.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 629.4709 Da |
| Heavy Atoms | 47 |
| Complexity | 946.0 |
| SMILES | CC(C)CC(CCN1CCCC1)(CN=CC(CCN2CCCC2)(CC(C)C)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65 |
| InChIKey | RNIOMIKFOZKIOD-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloroisobutyronitrile
Property Insights of 2-Chloroisobutyronitrile
The XLogP value of 10.7 indicates that 2-Chloroisobutyronitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.8 Ų, 2-Chloroisobutyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroisobutyronitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Chloroisobutyronitrile?
The CAS number of 2-Chloroisobutyronitrile is 33310-57-5.
What is the molecular formula of 2-Chloroisobutyronitrile?
The molecular formula of 2-Chloroisobutyronitrile is C44H59N3.
What is the molecular weight of 2-Chloroisobutyronitrile?
The molecular weight of 2-Chloroisobutyronitrile is 629.4709 g/mol.
Where can I buy 2-Chloroisobutyronitrile?
You can request a quote for 2-Chloroisobutyronitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloroisobutyronitrile?
Yes, CoreyChem provides custom synthesis services for 2-Chloroisobutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.