![2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile structure](/static/products/3387/338773-50-5.webp)
2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile
TL;DR: 2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile (CAS 338773-50-5) is a chemical compound with molecular formula C15H13F3N4O and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]prop-2-enylidene]propanedinitrile
Also Known As: 2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile, 2-[1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]prop-2-enylidene]propanedinitrile
| Molecular Formula | C15H13F3N4O |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 3.37366 |
| Topological Polar Surface Area | 72.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.10416 |
| Heavy Atoms | 23 |
| Complexity | 660.6492 |
Chemical Identifiers
| CAS Number | 338773-50-5 |
|---|---|
| SMILES | CN(C)C(=C(C#N)C#N)C=CNC1=CC=C(C=C1)OC(F)(F)F |
Product Overview
2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile (CAS 338773-50-5), with molecular formula C15H13F3N4O and molecular weight 322.10 g/mol. IUPAC: 2-[1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]prop-2-enylidene]propanedinitrile.
Chemical Property Profile of 2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile
Property Insights of 2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile
The XLogP value of 3.37366 indicates that 2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile. Following Lipinski's Rule of Five, 2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile has 1 hydrogen bond donor(s) and 5 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-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile?
The CAS number of 2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile is 338773-50-5.
What is the molecular formula of 2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile?
The molecular formula of 2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile is C15H13F3N4O.
What is the molecular weight of 2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile?
The molecular weight of 2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile is 322.10 g/mol.
Where can I buy 2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile?
You can request a quote for 2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{1-(dimethylamino)-3-[4-(trifluoromethoxy)anilino]-2-propenylidene}malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.