(E)-2-(4-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile
TL;DR: (E)-2-(4-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile (CAS 683250-82-0) is a chemical compound with molecular formula C21H17N3O5S and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Also Known As: F1110-0091, (2E)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile, (E)-2-(4-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile, (E)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile, 2-(4-(3-Nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile
| Molecular Formula | C21H17N3O5S |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 4.80828 |
| Topological Polar Surface Area | 107.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.0889 |
| Heavy Atoms | 30 |
| Complexity | 1138.4388 |
Chemical Identifiers
| CAS Number | 683250-82-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(E)-2-(4-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile (CAS 683250-82-0), with molecular formula C21H17N3O5S and molecular weight 423.09 g/mol. IUPAC: (E)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(4-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile
Property Insights of (E)-2-(4-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile
The XLogP value of 4.80828 indicates that (E)-2-(4-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)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-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-(4-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)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-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile?
The CAS number of (E)-2-(4-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile is 683250-82-0.
What is the molecular formula of (E)-2-(4-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile?
The molecular formula of (E)-2-(4-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile is C21H17N3O5S.
What is the molecular weight of (E)-2-(4-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile?
The molecular weight of (E)-2-(4-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile is 423.09 g/mol.
Where can I buy (E)-2-(4-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile?
You can request a quote for (E)-2-(4-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)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-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-(3-nitrophenyl)thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.