2-氯异丁腈
TL;DR: 2-氯异丁腈 (CAS 38123-83-0) is a chemical compound with molecular formula C46H63N3 and molecular weight 657.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯异丁腈
4-methyl-N-[4-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pentyl]-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pentan-1-imine
Also Known As: 2-Chloroisobutyronitrile, 1,1'-(delta,delta'-Nitriloditetramethylene)bis(gamma-isobutyl-gamma-(1-naphthyl)piperidine), Piperidine, 1,1'-(delta,delta'-nitriloditetramethylene)bis(gamma-isobutyl-gamma-(1-naphthyl)-, 4-methyl-n-{(1e)-4-methyl-2-(naphthalen-1-yl)-2-[2-(piperidin-1-yl)ethyl]pentylidene}-2-(naphthalen-1-yl)-2-[2-(piperidin-1-yl)ethyl]pentan-1-amine, 1-[5-Methyl-3-[N-[4-methyl-2- -2- pentyl]iminomethyl]-3- hexyl]piperidine
| Molecular Formula | C46H63N3 |
|---|---|
| Molecular Weight | 657.50 g/mol |
| LogP | 11.4 |
| Topological Polar Surface Area | 18.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 657.5022 |
| Heavy Atoms | 49 |
| Complexity | 977.0 |
Chemical Identifiers
| CAS Number | 38123-83-0 |
|---|---|
| SMILES | CC(C)CC(CCN1CCCCC1)(CN=CC(CCN2CCCCC2)(CC(C)C)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65 |
| InChIKey | KHYSPSOYEJNHLJ-UHFFFAOYSA-N |
Product Overview
2-氯异丁腈 (CAS 38123-83-0), with molecular formula C46H63N3 and molecular weight 657.50 g/mol. IUPAC: 4-methyl-N-[4-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pentyl]-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pentan-1-imine.
Chemical Property Profile of 2-氯异丁腈
Property Insights of 2-氯异丁腈
The XLogP value of 11.4 indicates that 2-氯异丁腈 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-氯异丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯异丁腈 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-氯异丁腈?
The CAS number of 2-氯异丁腈 is 38123-83-0.
What is the molecular formula of 2-氯异丁腈?
The molecular formula of 2-氯异丁腈 is C46H63N3.
What is the molecular weight of 2-氯异丁腈?
The molecular weight of 2-氯异丁腈 is 657.50 g/mol.
Where can I buy 2-氯异丁腈?
You can request a quote for 2-氯异丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯异丁腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氯异丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.