![2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile structure](/static/products/116/1164465-85-3.webp)
2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile
TL;DR: 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile (CAS 1164465-85-3) is a chemical compound with molecular formula C17H13N3 and molecular weight 259.11096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2E)-2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile
Also Known As: BAS 00758709, 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile, 2-[(2E)-2-(1-allyl-4-quinolylidene)ethylidene]malononitrile, 2-[(2E)-2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile, (E)-2-(2-(1-allylquinolin-4(1H)-ylidene)ethylidene)malononitrile
Technical Specifications
| Molecular Formula | C17H13N3 |
| Molecular Weight | 259.11096 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.11096 Da |
| Heavy Atoms | 20 |
| Complexity | 544.0 |
| SMILES | C=CCN1C=C/C(=C\C=C(C#N)C#N)/C2=CC=CC=C21 |
| InChIKey | VXGCBVDPCCTFNU-OVCLIPMQSA-N |
Chemical Property Profile of 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile
Property Insights of 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile
The XLogP value of 3.2 indicates that 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-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
What is the CAS number of 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile?
The CAS number of 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile is 1164465-85-3.
What is the molecular formula of 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile?
The molecular formula of 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile is C17H13N3.
What is the molecular weight of 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile?
The molecular weight of 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile is 259.11096 g/mol.
Where can I buy 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile?
You can request a quote for 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile?
Yes, CoreyChem provides custom synthesis services for 2-[2-(1-Allyl-1H-quinolin-4-ylidene)-ethylidene]-malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.