(E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide
TL;DR: (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide (CAS 444656-94-4) is a chemical compound with molecular formula C20H16BrN3O4 and molecular weight 441.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide
Also Known As: (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide, 3-(5-bromo-2-prop-2-enoxy-phenyl)-2-cyano-N-(2-methyl-4-nitro-phenyl)prop-2-enamide, 3-[5-bromo-2-(prop-2-en-1-yloxy)phenyl]-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide
| Molecular Formula | C20H16BrN3O4 |
|---|---|
| Molecular Weight | 441.03 g/mol |
| LogP | 4.7762 |
| Topological Polar Surface Area | 105.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.0324 |
| Heavy Atoms | 28 |
| Complexity | 1008.9958 |
Chemical Identifiers
| CAS Number | 444656-94-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)/C(=C/C2=C(C=CC(=C2)Br)OCC=C)/C#N |
Product Overview
(E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide (CAS 444656-94-4), with molecular formula C20H16BrN3O4 and molecular weight 441.03 g/mol. IUPAC: (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide.
Chemical Property Profile of (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide
Property Insights of (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide
The XLogP value of 4.7762 indicates that (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The CAS number of (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide is 444656-94-4.
What is the molecular formula of (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The molecular formula of (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide is C20H16BrN3O4.
What is the molecular weight of (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The molecular weight of (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide is 441.03 g/mol.
Where can I buy (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
You can request a quote for (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.