2-Chloroisobutyronitrile
TL;DR: 2-Chloroisobutyronitrile (CAS 38123-79-4) is a chemical compound with molecular formula C44H59N3 and molecular weight 629.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-naphthalen-1-yl-N-[2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pentyl]-2-(2-piperidin-1-ylethyl)pentan-1-imine
Also Known As: 2-Chloroisobutyronitrile, 1,1'-(delta,delta'-Nitriloditetramethylene)bis(gamma-(1-naphthyl)-gamma-propylpiperidine), 1-[3-3-[n-[2-2- pentyl]iminomethyl]hexyl]piperidine, Piperidine, 1,1'-(delta,delta'-nitriloditetramethylene)bis(gamma-(1-naphthyl)-gamma-propyl-, 1-[3- -3-[N-[2- -2- pentyl]iminomethyl]hexyl]piperidine
| Molecular Formula | C44H59N3 |
|---|---|
| Molecular Weight | 629.47 g/mol |
| LogP | 10.9 |
| Topological Polar Surface Area | 18.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 629.4709 |
| Heavy Atoms | 47 |
| Complexity | 919.0 |
Chemical Identifiers
| CAS Number | 38123-79-4 |
|---|---|
| SMILES | CCCC(CCN1CCCCC1)(CN=CC(CCC)(CCN2CCCCC2)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65 |
| InChIKey | SKOLWUSSWJHPOM-UHFFFAOYSA-N |
Product Overview
2-Chloroisobutyronitrile (CAS 38123-79-4), with molecular formula C44H59N3 and molecular weight 629.47 g/mol. IUPAC: 2-naphthalen-1-yl-N-[2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pentyl]-2-(2-piperidin-1-ylethyl)pentan-1-imine.
Chemical Property Profile of 2-Chloroisobutyronitrile
Property Insights of 2-Chloroisobutyronitrile
The XLogP value of 10.9 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
Frequently Asked Questions
What is the CAS number of 2-Chloroisobutyronitrile?
The CAS number of 2-Chloroisobutyronitrile is 38123-79-4.
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 629.47 g/mol.
Where can I buy 2-Chloroisobutyronitrile?
You can request a quote for 2-Chloroisobutyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroisobutyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroisobutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.