![(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile structure](/static/products/5309/5309-76-2.webp)
(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile
TL;DR: (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile (CAS 5309-76-2) is a chemical compound with molecular formula C22H13BrN2O2S and molecular weight 447.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile
Also Known As: (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile, 2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)acrylonitrile, (2Z)-2-[4-(6-Bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile
| Molecular Formula | C22H13BrN2O2S |
|---|---|
| Molecular Weight | 447.99 g/mol |
| LogP | 6.0516 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.9881 |
| Heavy Atoms | 28 |
| Complexity | 1311.1172 |
Chemical Identifiers
| CAS Number | 5309-76-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O |
Product Overview
(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile (CAS 5309-76-2), with molecular formula C22H13BrN2O2S and molecular weight 447.99 g/mol. IUPAC: (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile.
Chemical Property Profile of (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile
Property Insights of (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile
The XLogP value of 6.0516 indicates that (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile 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 (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile 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 (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile?
The CAS number of (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile is 5309-76-2.
What is the molecular formula of (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile?
The molecular formula of (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile is C22H13BrN2O2S.
What is the molecular weight of (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile?
The molecular weight of (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile is 447.99 g/mol.
Where can I buy (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile?
You can request a quote for (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)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 (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.