2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile
TL;DR: 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile (CAS 1164463-71-1) is a chemical compound with molecular formula C20H21N3 and molecular weight 303.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2E)-2-(1-hexylquinolin-4-ylidene)ethylidene]propanedinitrile
Also Known As: 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile, 2-[(2E)-2-(1-hexylquinolin-4-ylidene)ethylidene]propanedinitrile, 2-{2-[1-Hexyl-1H-quinolin-(4E)-ylidene]-ethylidene}-malononitrile, 2-[(2E)-2-(1-hexyl-4-quinolylidene)ethylidene]malononitrile, (E)-2-(2-(1-hexylquinolin-4(1H)-ylidene)ethylidene)malononitrile
| Molecular Formula | C20H21N3 |
|---|---|
| Molecular Weight | 303.17 g/mol |
| LogP | 4.95756 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.17355 |
| Heavy Atoms | 23 |
| Complexity | 695.1377 |
Chemical Identifiers
| CAS Number | 1164463-71-1 |
|---|---|
| SMILES | CCCCCCN1C=C/C(=C\C=C(C#N)C#N)/C2=CC=CC=C21 |
Product Overview
2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile (CAS 1164463-71-1), with molecular formula C20H21N3 and molecular weight 303.17 g/mol. IUPAC: 2-[(2E)-2-(1-hexylquinolin-4-ylidene)ethylidene]propanedinitrile.
Chemical Property Profile of 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile
Property Insights of 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile
The XLogP value of 4.95756 indicates that 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.82 Ų, 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile?
The CAS number of 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile is 1164463-71-1.
What is the molecular formula of 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile?
The molecular formula of 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile is C20H21N3.
What is the molecular weight of 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile?
The molecular weight of 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile is 303.17 g/mol.
Where can I buy 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile?
You can request a quote for 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(1-Hexyl-4(1H)-quinolinylidene)ethylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.