![[2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate structure](/static/products/522/522656-03-7.png)
[2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate
TL;DR: [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate (CAS 522656-03-7) is a chemical compound with molecular formula C23H14ClN3O6 and molecular weight 463.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate
Also Known As: [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate|[2-[2-cyano-2-[(2-hydroxy-4-nitro-phenyl)carbamoyl]ethenyl]phenyl] 4-chlorobenzoate|2-{2-cyano-2-[(2-hydroxy-4-nitrophenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-chlorobenzoate|EN300-26605010
| Molecular Formula | C23H14ClN3O6 |
|---|---|
| Molecular Weight | 463.06 g/mol |
| LogP | 4.71868 |
| Topological Polar Surface Area | 142.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.0571 |
| Heavy Atoms | 33 |
| Complexity | 1312.5172 |
Chemical Identifiers
| CAS Number | 522656-03-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
[2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate (CAS 522656-03-7), with molecular formula C23H14ClN3O6 and molecular weight 463.06 g/mol. IUPAC: [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate.
Chemical Property Profile of [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate
Property Insights of [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate
The XLogP value of 4.71868 indicates that [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.56 Ų indicates high polarity, suggesting [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate has 2 hydrogen bond donor(s) and 7 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 [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate?
The CAS number of [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate is 522656-03-7.
What is the molecular formula of [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate?
The molecular formula of [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate is C23H14ClN3O6.
What is the molecular weight of [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate?
The molecular weight of [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate is 463.06 g/mol.
Where can I buy [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate?
You can request a quote for [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.