2-(2-(1-Hexyl-4(1H)-pyridinylidene)ethylidene)malononitrile
TL;DR: 2-(2-(1-Hexyl-4(1H)-pyridinylidene)ethylidene)malononitrile (CAS 298218-91-4) is a chemical compound with molecular formula C16H19N3 and molecular weight 253.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-hexyl-4-pyridinylidene)ethylidene]propanedinitrile
Also Known As: 2-(2-(1-Hexyl-4(1H)-pyridinylidene)ethylidene)malononitrile, 2-(2-(1-hexylpyridin-4(1H)-ylidene)ethylidene)malononitrile, 2-[2-(1-hexylpyridin-4-ylidene)ethylidene]propanedinitrile, Propanedinitrile, 2-[2-(1-hexyl-4(1H)-pyridinylidene)ethylidene]-
| Molecular Formula | C16H19N3 |
|---|---|
| Molecular Weight | 253.16 g/mol |
| LogP | 3.80966 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.1579 |
| Heavy Atoms | 19 |
| Complexity | 449.10388 |
Chemical Identifiers
| CAS Number | 298218-91-4 |
|---|---|
| SMILES | CCCCCCN1C=CC(=CC=C(C#N)C#N)C=C1 |
Product Overview
2-(2-(1-Hexyl-4(1H)-pyridinylidene)ethylidene)malononitrile (CAS 298218-91-4), with molecular formula C16H19N3 and molecular weight 253.16 g/mol. IUPAC: 2-[2-(1-hexyl-4-pyridinylidene)ethylidene]propanedinitrile.
Chemical Property Profile of 2-(2-(1-Hexyl-4(1H)-pyridinylidene)ethylidene)malononitrile
Property Insights of 2-(2-(1-Hexyl-4(1H)-pyridinylidene)ethylidene)malononitrile
The XLogP value of 3.80966 indicates that 2-(2-(1-Hexyl-4(1H)-pyridinylidene)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)-pyridinylidene)ethylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-(1-Hexyl-4(1H)-pyridinylidene)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)-pyridinylidene)ethylidene)malononitrile?
The CAS number of 2-(2-(1-Hexyl-4(1H)-pyridinylidene)ethylidene)malononitrile is 298218-91-4.
What is the molecular formula of 2-(2-(1-Hexyl-4(1H)-pyridinylidene)ethylidene)malononitrile?
The molecular formula of 2-(2-(1-Hexyl-4(1H)-pyridinylidene)ethylidene)malononitrile is C16H19N3.
What is the molecular weight of 2-(2-(1-Hexyl-4(1H)-pyridinylidene)ethylidene)malononitrile?
The molecular weight of 2-(2-(1-Hexyl-4(1H)-pyridinylidene)ethylidene)malononitrile is 253.16 g/mol.
Where can I buy 2-(2-(1-Hexyl-4(1H)-pyridinylidene)ethylidene)malononitrile?
You can request a quote for 2-(2-(1-Hexyl-4(1H)-pyridinylidene)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)-pyridinylidene)ethylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(1-Hexyl-4(1H)-pyridinylidene)ethylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.