3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile
TL;DR: 3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile (CAS 333769-55-4) is a chemical compound with molecular formula C21H11ClN2O2S and molecular weight 390.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-chlorophenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: BAS 00989759, AB00075368-01, (E)-3-(2-chlorophenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, (E)-3-(2-chlorophenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-(2-CHLORO-PHENYL)-2-(4-(2-OXO-2H-CHROMEN-3-YL)-THIAZOL-2-YL)-ACRYLONITRILE
| Molecular Formula | C21H11ClN2O2S |
|---|---|
| Molecular Weight | 390.02 g/mol |
| LogP | 5.63408 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.02298 |
| Heavy Atoms | 27 |
| Complexity | 1281.0765 |
Chemical Identifiers
| CAS Number | 333769-55-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)/C(=C/C4=CC=CC=C4Cl)/C#N |
Product Overview
3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile (CAS 333769-55-4), with molecular formula C21H11ClN2O2S and molecular weight 390.02 g/mol. IUPAC: (E)-3-(2-chlorophenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of 3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile
Property Insights of 3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile
The XLogP value of 5.63408 indicates that 3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile. Following Lipinski's Rule of Five, 3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile?
The CAS number of 3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile is 333769-55-4.
What is the molecular formula of 3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile?
The molecular formula of 3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile is C21H11ClN2O2S.
What is the molecular weight of 3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile?
The molecular weight of 3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile is 390.02 g/mol.
Where can I buy 3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile?
You can request a quote for 3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-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 3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloro-phenyl)-2-(4-(2-oxo-2H-chromen-3-YL)-thiazol-2-YL)-acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.