![(2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile structure](/static/products/477/477298-35-4.png)
(2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile
TL;DR: (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile (CAS 477298-35-4) is a chemical compound with molecular formula C20H15FN4O4S and molecular weight 426.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-fluoro-2-nitroanilino)prop-2-enenitrile
Also Known As: (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile, (E)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)-3-((4-fluoro-2-nitrophenyl)amino)acrylonitrile, (E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-fluoro-2-nitroanilino)prop-2-enenitrile
| Molecular Formula | C20H15FN4O4S |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 4.85118 |
| Topological Polar Surface Area | 110.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.0798 |
| Heavy Atoms | 30 |
| Complexity | 1169.8534 |
Chemical Identifiers
| CAS Number | 477298-35-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CSC(=N2)/C(=C/NC3=C(C=C(C=C3)F)[N+](=O)[O-])/C#N)OC |
Product Overview
(2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile (CAS 477298-35-4), with molecular formula C20H15FN4O4S and molecular weight 426.08 g/mol. IUPAC: (E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-fluoro-2-nitroanilino)prop-2-enenitrile.
Chemical Property Profile of (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile
Property Insights of (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile
The XLogP value of 4.85118 indicates that (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile 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 (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile 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 (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile?
The CAS number of (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile is 477298-35-4.
What is the molecular formula of (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile?
The molecular formula of (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile is C20H15FN4O4S.
What is the molecular weight of (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile?
The molecular weight of (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile is 426.08 g/mol.
Where can I buy (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile?
You can request a quote for (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-fluoro-2-nitrophenyl)amino]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.