![[4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate structure](/static/products/522/522656-53-7.png)
[4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate
TL;DR: [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate (CAS 522656-53-7) is a chemical compound with molecular formula C25H17Cl2N3O6 and molecular weight 525.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate
Also Known As: [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate|[4-[2-[(2-chloro-4-nitro-phenyl)carbamoyl]-2-cyano-ethenyl]-2-ethoxy-phenyl] 4-chlorobenzoate|4-{2-[(2-chloro-4-nitrophenyl)carbamoyl]-2-cyanoeth-1-en-1-yl}-2-ethoxyphenyl 4-chlorobenzoate|EN300-26606817
| Molecular Formula | C25H17Cl2N3O6 |
|---|---|
| Molecular Weight | 525.05 g/mol |
| LogP | 6.06518 |
| Topological Polar Surface Area | 131.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 525.04944 |
| Heavy Atoms | 36 |
| Complexity | 1397.8938 |
Chemical Identifiers
| CAS Number | 522656-53-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
[4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate (CAS 522656-53-7), with molecular formula C25H17Cl2N3O6 and molecular weight 525.05 g/mol. IUPAC: [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate.
Chemical Property Profile of [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate
Property Insights of [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate
The XLogP value of 6.06518 indicates that [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.56 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate. Following Lipinski's Rule of Five, [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate?
The CAS number of [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate is 522656-53-7.
What is the molecular formula of [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate?
The molecular formula of [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate is C25H17Cl2N3O6.
What is the molecular weight of [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate?
The molecular weight of [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate is 525.05 g/mol.
Where can I buy [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate?
You can request a quote for [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.