![(E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)amino)acrylonitrile structure](/static/products/372/372499-54-2.png)
(E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)amino)acrylonitrile
TL;DR: (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)amino)acrylonitrile (CAS 372499-54-2) is a chemical compound with molecular formula C19H12N4O4S and molecular weight 392.06 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-nitroanilino)prop-2-enenitrile
Also Known As: (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)amino)acrylonitrile, (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-nitroanilino)prop-2-enenitrile, (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(2-nitrophenyl)amino]prop-2-enenitrile
| Molecular Formula | C19H12N4O4S |
|---|---|
| Molecular Weight | 392.06 g/mol |
| LogP | 4.42358 |
| Topological Polar Surface Area | 110.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.05792 |
| Heavy Atoms | 28 |
| Complexity | 1132.9575 |
Chemical Identifiers
| CAS Number | 372499-54-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)/C(=C/NC4=CC=CC=C4[N+](=O)[O-])/C#N |
Product Overview
(E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)amino)acrylonitrile (CAS 372499-54-2), with molecular formula C19H12N4O4S and molecular weight 392.06 g/mol. IUPAC: (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-nitroanilino)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)amino)acrylonitrile
Property Insights of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)amino)acrylonitrile
The XLogP value of 4.42358 indicates that (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)amino)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.31 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-nitrophenyl)amino)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)amino)acrylonitrile has 1 hydrogen bond donor(s) and 8 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 (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)amino)acrylonitrile?
The CAS number of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)amino)acrylonitrile is 372499-54-2.
What is the molecular formula of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)amino)acrylonitrile?
The molecular formula of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)amino)acrylonitrile is C19H12N4O4S.
What is the molecular weight of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)amino)acrylonitrile?
The molecular weight of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)amino)acrylonitrile is 392.06 g/mol.
Where can I buy (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)amino)acrylonitrile?
You can request a quote for (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-nitrophenyl)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-nitrophenyl)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-nitrophenyl)amino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.