![(E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile structure](/static/products/374/374102-01-9.png)
(E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile
TL;DR: (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile (CAS 374102-01-9) is a chemical compound with molecular formula C20H11ClF3N3O2S and molecular weight 449.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[2-chloro-5-(trifluoromethyl)anilino]prop-2-enenitrile
Also Known As: (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile, (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[2-chloro-5-(trifluoromethyl)anilino]prop-2-enenitrile, 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}acrylonitrile
| Molecular Formula | C20H11ClF3N3O2S |
|---|---|
| Molecular Weight | 449.02 g/mol |
| LogP | 6.18758 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.02127 |
| Heavy Atoms | 30 |
| Complexity | 1184.7703 |
Chemical Identifiers
| CAS Number | 374102-01-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)/C(=C/NC4=C(C=CC(=C4)C(F)(F)F)Cl)/C#N |
Product Overview
(E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile (CAS 374102-01-9), with molecular formula C20H11ClF3N3O2S and molecular weight 449.02 g/mol. IUPAC: (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[2-chloro-5-(trifluoromethyl)anilino]prop-2-enenitrile.
Chemical Property Profile of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile
Property Insights of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile
The XLogP value of 6.18758 indicates that (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(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 (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(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 (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile?
The CAS number of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile is 374102-01-9.
What is the molecular formula of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile?
The molecular formula of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile is C20H11ClF3N3O2S.
What is the molecular weight of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile?
The molecular weight of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile is 449.02 g/mol.
Where can I buy (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile?
You can request a quote for (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(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 (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.