![(2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile structure](/static/products/4772/477298-74-1.webp)
(2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
TL;DR: (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 477298-74-1) is a chemical compound with molecular formula C21H11BrFN3O2S and molecular weight 466.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-bromo-2-fluoroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, F0837-0563, (E)-3-((4-bromo-2-fluorophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, (E)-3-(4-bromo-2-fluoroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-((4-Bromo-2-fluorophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
| Molecular Formula | C21H11BrFN3O2S |
|---|---|
| Molecular Weight | 466.97 g/mol |
| LogP | 5.79468 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.97394 |
| Heavy Atoms | 29 |
| Complexity | 1354.0428 |
Chemical Identifiers
| CAS Number | 477298-74-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)/C(=C/NC4=C(C=C(C=C4)Br)F)/C#N |
Product Overview
(2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 477298-74-1), with molecular formula C21H11BrFN3O2S and molecular weight 466.97 g/mol. IUPAC: (E)-3-(4-bromo-2-fluoroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Property Insights of (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
The XLogP value of 5.79468 indicates that (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The CAS number of (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is 477298-74-1.
What is the molecular formula of (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular formula of (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is C21H11BrFN3O2S.
What is the molecular weight of (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular weight of (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is 466.97 g/mol.
Where can I buy (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
You can request a quote for (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]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)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.