![(Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile structure](/static/products/477/477298-94-5.png)
(Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile
TL;DR: (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile (CAS 477298-94-5) is a chemical compound with molecular formula C20H12F3N3O2S and molecular weight 415.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)anilino]prop-2-enenitrile
Also Known As: (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile, (Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)anilino]prop-2-enenitrile, 2-(4-benzo[1,3]dioxol-5-yl-1,3-thiazol-2-yl)-3-[[2-(trifluoromethyl)phenyl]amino]prop-2-enenitrile
| Molecular Formula | C20H12F3N3O2S |
|---|---|
| Molecular Weight | 415.06 g/mol |
| LogP | 5.53418 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.06024 |
| Heavy Atoms | 29 |
| Complexity | 1132.4855 |
Chemical Identifiers
| CAS Number | 477298-94-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)/C(=C\NC4=CC=CC=C4C(F)(F)F)/C#N |
Product Overview
(Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile (CAS 477298-94-5), with molecular formula C20H12F3N3O2S and molecular weight 415.06 g/mol. IUPAC: (Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)anilino]prop-2-enenitrile.
Chemical Property Profile of (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile
Property Insights of (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile
The XLogP value of 5.53418 indicates that (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile. Following Lipinski's Rule of Five, (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile 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 (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile?
The CAS number of (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile is 477298-94-5.
What is the molecular formula of (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile?
The molecular formula of (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile is C20H12F3N3O2S.
What is the molecular weight of (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile?
The molecular weight of (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile is 415.06 g/mol.
Where can I buy (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile?
You can request a quote for (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.