![3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile structure](/static/products/313/313687-40-0.png)
3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile
TL;DR: 3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile (CAS 313687-40-0) is a chemical compound with molecular formula C19H9BrN2O3S and molecular weight 423.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-bromofuran-2-yl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: AB00079592-01, AE-848/34435020, 3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile, (E)-3-(5-bromofuran-2-yl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, (E)-3-(5-bromofuran-2-yl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C19H9BrN2O3S |
|---|---|
| Molecular Weight | 423.95 g/mol |
| LogP | 5.33618 |
| Topological Polar Surface Area | 80.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.95172 |
| Heavy Atoms | 26 |
| Complexity | 1243.3884 |
Chemical Identifiers
| CAS Number | 313687-40-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)/C(=C/C4=CC=C(O4)Br)/C#N |
Product Overview
3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile (CAS 313687-40-0), with molecular formula C19H9BrN2O3S and molecular weight 423.95 g/mol. IUPAC: (E)-3-(5-bromofuran-2-yl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of 3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile
Property Insights of 3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile
The XLogP value of 5.33618 indicates that 3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile. Following Lipinski's Rule of Five, 3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-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-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile?
The CAS number of 3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile is 313687-40-0.
What is the molecular formula of 3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile?
The molecular formula of 3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile is C19H9BrN2O3S.
What is the molecular weight of 3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile?
The molecular weight of 3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile is 423.95 g/mol.
Where can I buy 3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile?
You can request a quote for 3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-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-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-bromo-2-furyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.