3-(4-Ethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
TL;DR: 3-(4-Ethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile (CAS 308101-50-0) is a chemical compound with molecular formula C23H16N2O3S and molecular weight 400.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: BAS 00866332, 3-(4-Ethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, 3-(4-ethoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (2Z)-3-(4-ethoxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C23H16N2O3S |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 5.37938 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.08817 |
| Heavy Atoms | 29 |
| Complexity | 1294.1998 |
Chemical Identifiers
| CAS Number | 308101-50-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O |
Product Overview
3-(4-Ethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile (CAS 308101-50-0), with molecular formula C23H16N2O3S and molecular weight 400.09 g/mol. IUPAC: 3-(4-ethoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of 3-(4-Ethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
Property Insights of 3-(4-Ethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
The XLogP value of 5.37938 indicates that 3-(4-Ethoxyphenyl)-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 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Ethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, 3-(4-Ethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile has 0 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 3-(4-Ethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
The CAS number of 3-(4-Ethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile is 308101-50-0.
What is the molecular formula of 3-(4-Ethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
The molecular formula of 3-(4-Ethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile is C23H16N2O3S.
What is the molecular weight of 3-(4-Ethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
The molecular weight of 3-(4-Ethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile is 400.09 g/mol.
Where can I buy 3-(4-Ethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
You can request a quote for 3-(4-Ethoxyphenyl)-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-(4-Ethoxyphenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Ethoxyphenyl)-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.