(E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile
TL;DR: (E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile (CAS 377053-08-2) is a chemical compound with molecular formula C20H16N4O4S and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dimethoxyanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile, VU0513513-1, (2E)-3-[(3,4-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, F3220-0869, (E)-3-(3,4-dimethoxyanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C20H16N4O4S |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 4.71208 |
| Topological Polar Surface Area | 110.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.08923 |
| Heavy Atoms | 29 |
| Complexity | 1100.4142 |
Chemical Identifiers
| CAS Number | 377053-08-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])OC |
Product Overview
(E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile (CAS 377053-08-2), with molecular formula C20H16N4O4S and molecular weight 408.09 g/mol. IUPAC: (E)-3-(3,4-dimethoxyanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile
Property Insights of (E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile
The XLogP value of 4.71208 indicates that (E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)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)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)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)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile?
The CAS number of (E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile is 377053-08-2.
What is the molecular formula of (E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile?
The molecular formula of (E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile is C20H16N4O4S.
What is the molecular weight of (E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile?
The molecular weight of (E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile is 408.09 g/mol.
Where can I buy (E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile?
You can request a quote for (E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((3,4-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.