![[1-(4-Methylphenyl)ethylidene]malononitrile structure](/static/products/3111/3111-61-3.webp)
[1-(4-Methylphenyl)ethylidene]malononitrile
TL;DR: [1-(4-Methylphenyl)ethylidene]malononitrile (CAS 3111-61-3) is a chemical compound with molecular formula C12H10N2 and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-methylphenyl)ethylidene]propanedinitrile
Also Known As: [1-(4-methylphenyl)ethylidene]malononitrile|NCIOpen2_001816|2-[1-(4-methylphenyl)ethylidene]propanedinitrile|KST-1A3701|2-(1-(p-Tolyl)ethylidene)malononitrile|2-[1-(p-tolyl)ethylidene]propanedinitrile|(1-(4-Methylphenyl)ethylidene)malononitrile|2-(alpha,4-Dimethylbenzylidene)malononitrile|[1-(4-methylphenyl)ethylidene]propanedinitrile|Propanedinitrile,2-[1-(4-methylphenyl)ethylidene]-|alpha-cyano-beta-(4-methylphenyl) crotononitrile|Propanedinitrile, 2-[1-(4-methylphenyl)ethylidene]-|2-(alpha-Methyl-4-methylbenzylidene)malononitrile|2T-0310
| Molecular Formula | C12H10N2 |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.0844 |
| Heavy Atoms | 14 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 3111-61-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=C(C#N)C#N)C |
| InChIKey | XYWJLFIDPXBVOD-UHFFFAOYSA-N |
Product Overview
[1-(4-Methylphenyl)ethylidene]malononitrile (CAS 3111-61-3), with molecular formula C12H10N2 and molecular weight 182.08 g/mol. IUPAC: 2-[1-(4-methylphenyl)ethylidene]propanedinitrile.
Chemical Property Profile of [1-(4-Methylphenyl)ethylidene]malononitrile
Property Insights of [1-(4-Methylphenyl)ethylidene]malononitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(4-Methylphenyl)ethylidene]malononitrile. With a topological polar surface area (TPSA) of 47.6 Ų, [1-(4-Methylphenyl)ethylidene]malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(4-Methylphenyl)ethylidene]malononitrile has 0 hydrogen bond donor(s) and 2 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 [1-(4-Methylphenyl)ethylidene]malononitrile?
The CAS number of [1-(4-Methylphenyl)ethylidene]malononitrile is 3111-61-3.
What is the molecular formula of [1-(4-Methylphenyl)ethylidene]malononitrile?
The molecular formula of [1-(4-Methylphenyl)ethylidene]malononitrile is C12H10N2.
What is the molecular weight of [1-(4-Methylphenyl)ethylidene]malononitrile?
The molecular weight of [1-(4-Methylphenyl)ethylidene]malononitrile is 182.08 g/mol.
Where can I buy [1-(4-Methylphenyl)ethylidene]malononitrile?
You can request a quote for [1-(4-Methylphenyl)ethylidene]malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(4-Methylphenyl)ethylidene]malononitrile?
Yes, KEHONG BIO provides custom synthesis services for [1-(4-Methylphenyl)ethylidene]malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.