![(E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile structure](/static/products/132/1322224-79-2.png)
(E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile
TL;DR: (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile (CAS 1322224-79-2) is a chemical compound with molecular formula C28H20N2O5S and molecular weight 496.11 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-(3-methoxy-4-phenacyloxyphenyl)prop-2-enenitrile
Also Known As: (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile, (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-methoxy-4-phenacyloxyphenyl)prop-2-enenitrile, F0837-0324, (2E)-2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl]prop-2-enenitrile, (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl]prop-2-enenitrile
| Molecular Formula | C28H20N2O5S |
|---|---|
| Molecular Weight | 496.11 g/mol |
| LogP | 5.87328 |
| Topological Polar Surface Area | 90.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.10928 |
| Heavy Atoms | 36 |
| Complexity | 1487.5685 |
Chemical Identifiers
| CAS Number | 1322224-79-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)OCC(=O)C5=CC=CC=C5 |
Product Overview
(E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile (CAS 1322224-79-2), with molecular formula C28H20N2O5S and molecular weight 496.11 g/mol. IUPAC: (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-methoxy-4-phenacyloxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile
Property Insights of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile
The XLogP value of 5.87328 indicates that (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.67 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-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile has 0 hydrogen bond donor(s) and 8 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-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile?
The CAS number of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile is 1322224-79-2.
What is the molecular formula of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile?
The molecular formula of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile is C28H20N2O5S.
What is the molecular weight of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile?
The molecular weight of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile is 496.11 g/mol.
Where can I buy (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile?
You can request a quote for (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)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-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.