(E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile
TL;DR: (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile (CAS 342377-17-7) is a chemical compound with molecular formula C22H14BrN3O2S and molecular weight 463.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylanilino)prop-2-enenitrile
Also Known As: (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile, (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)amino]prop-2-enenitrile, (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylanilino)prop-2-enenitrile, 2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)amino]acrylonitrile
| Molecular Formula | C22H14BrN3O2S |
|---|---|
| Molecular Weight | 463.00 g/mol |
| LogP | 5.964 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.99902 |
| Heavy Atoms | 29 |
| Complexity | 1330.9241 |
Chemical Identifiers
| CAS Number | 342377-17-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O |
Product Overview
(E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile (CAS 342377-17-7), with molecular formula C22H14BrN3O2S and molecular weight 463.00 g/mol. IUPAC: (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylanilino)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile
Property Insights of (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile
The XLogP value of 5.964 indicates that (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile 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 (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile 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 (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile?
The CAS number of (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile is 342377-17-7.
What is the molecular formula of (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile?
The molecular formula of (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile is C22H14BrN3O2S.
What is the molecular weight of (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile?
The molecular weight of (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile is 463.00 g/mol.
Where can I buy (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile?
You can request a quote for (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(p-tolylamino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.