![(E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)acrylonitrile structure](/static/products/683/683256-12-4.png)
(E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)acrylonitrile
TL;DR: (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)acrylonitrile (CAS 683256-12-4) is a chemical compound with molecular formula C20H13N3O5S and molecular weight 407.06 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-methoxy-5-nitrophenyl)prop-2-enenitrile
Also Known As: (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)acrylonitrile, F1110-0210, (2E)-2-[4-(2H-1,3-BENZODIOXOL-5-YL)-1,3-THIAZOL-2-YL]-3-(2-METHOXY-5-NITROPHENYL)PROP-2-ENENITRILE, (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-methoxy-5-nitrophenyl)prop-2-enenitrile, (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-methoxy-5-nitrophenyl)prop-2-enenitrile
| Molecular Formula | C20H13N3O5S |
|---|---|
| Molecular Weight | 407.06 g/mol |
| LogP | 4.51978 |
| Topological Polar Surface Area | 107.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.0576 |
| Heavy Atoms | 29 |
| Complexity | 1179.1001 |
Chemical Identifiers
| CAS Number | 683256-12-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=C3)OCO4 |
Product Overview
(E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)acrylonitrile (CAS 683256-12-4), with molecular formula C20H13N3O5S and molecular weight 407.06 g/mol. IUPAC: (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-methoxy-5-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)acrylonitrile
Property Insights of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)acrylonitrile
The XLogP value of 4.51978 indicates that (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.51 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-methoxy-5-nitrophenyl)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)acrylonitrile has 0 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-methoxy-5-nitrophenyl)acrylonitrile?
The CAS number of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)acrylonitrile is 683256-12-4.
What is the molecular formula of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)acrylonitrile?
The molecular formula of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)acrylonitrile is C20H13N3O5S.
What is the molecular weight of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)acrylonitrile?
The molecular weight of (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)acrylonitrile is 407.06 g/mol.
Where can I buy (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)acrylonitrile?
You can request a quote for (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)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-methoxy-5-nitrophenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-(2-methoxy-5-nitrophenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.