((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile
TL;DR: ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile (CAS 7547-47-9) is a chemical compound with molecular formula C16H16N4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]methylidene]propanedinitrile
Also Known As: ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile, [[4-[ ethylamino]-2-methylphenyl]methylene]malononitrile, [[4-[ethylamino]-2-methylphenyl]methylene]malononitrile, 2-[[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]methylidene]propanedinitrile, ({4-[(2-cyanoethyl)ethylamino]-2-methylphenyl}methylene)malononitrile
| Molecular Formula | C16H16N4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.13748 |
| Heavy Atoms | 20 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 7547-47-9 |
|---|---|
| SMILES | CCN(CCC#N)C1=CC(=C(C=C1)C=C(C#N)C#N)C |
| InChIKey | DLOOSWBMFRKOIU-UHFFFAOYSA-N |
Product Overview
((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile (CAS 7547-47-9), with molecular formula C16H16N4 and molecular weight 264.14 g/mol. IUPAC: 2-[[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]methylidene]propanedinitrile.
Chemical Property Profile of ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile
Property Insights of ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile. Following Lipinski's Rule of Five, ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile has 0 hydrogen bond donor(s) and 4 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 ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile?
The CAS number of ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile is 7547-47-9.
What is the molecular formula of ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile?
The molecular formula of ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile is C16H16N4.
What is the molecular weight of ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile?
The molecular weight of ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile is 264.14 g/mol.
Where can I buy ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile?
You can request a quote for ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.