(E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide
TL;DR: (E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide (CAS 522656-39-9) is a chemical compound with molecular formula C18H13BrClN3O4 and molecular weight 448.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide
Also Known As: (E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide, 3-(5-bromo-2-ethoxy-phenyl)-N-(2-chloro-4-nitro-phenyl)-2-cyano-prop-2-enamide, 3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide
| Molecular Formula | C18H13BrClN3O4 |
|---|---|
| Molecular Weight | 448.98 g/mol |
| LogP | 4.95508 |
| Topological Polar Surface Area | 105.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.9778 |
| Heavy Atoms | 27 |
| Complexity | 969.56445 |
Chemical Identifiers
| CAS Number | 522656-39-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
(E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide (CAS 522656-39-9), with molecular formula C18H13BrClN3O4 and molecular weight 448.98 g/mol. IUPAC: (E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide.
Chemical Property Profile of (E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide
Property Insights of (E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide
The XLogP value of 4.95508 indicates that (E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-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-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-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-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide?
The CAS number of (E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide is 522656-39-9.
What is the molecular formula of (E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide?
The molecular formula of (E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide is C18H13BrClN3O4.
What is the molecular weight of (E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide?
The molecular weight of (E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide is 448.98 g/mol.
Where can I buy (E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide?
You can request a quote for (E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-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-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(5-bromo-2-ethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.