![2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile structure](/static/products/3387/338773-53-8.webp)
2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile
TL;DR: 2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile (CAS 338773-53-8) is a chemical compound with molecular formula C20H15ClF3N5O and molecular weight 433.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-1-(dimethylamino)prop-2-enylidene]propanedinitrile
Also Known As: 2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile, 2-[3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-1-(dimethylamino)prop-2-enylidene]propanedinitrile
| Molecular Formula | C20H15ClF3N5O |
|---|---|
| Molecular Weight | 433.09 g/mol |
| LogP | 5.33456 |
| Topological Polar Surface Area | 84.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.09174 |
| Heavy Atoms | 30 |
| Complexity | 1032.0824 |
Chemical Identifiers
| CAS Number | 338773-53-8 |
|---|---|
| SMILES | CN(C)C(=C(C#N)C#N)C=CNC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile (CAS 338773-53-8), with molecular formula C20H15ClF3N5O and molecular weight 433.09 g/mol. IUPAC: 2-[3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-1-(dimethylamino)prop-2-enylidene]propanedinitrile.
Chemical Property Profile of 2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile
Property Insights of 2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile
The XLogP value of 5.33456 indicates that 2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile. Following Lipinski's Rule of Five, 2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile?
The CAS number of 2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile is 338773-53-8.
What is the molecular formula of 2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile?
The molecular formula of 2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile is C20H15ClF3N5O.
What is the molecular weight of 2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile?
The molecular weight of 2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile is 433.09 g/mol.
Where can I buy 2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile?
You can request a quote for 2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-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-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-1-(dimethylamino)-2-propenylidene]malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.