![[4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate structure](/static/products/522/522604-08-6.png)
[4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
TL;DR: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate (CAS 522604-08-6) is a chemical compound with molecular formula C25H19N3O7 and molecular weight 473.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
Also Known As: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate|[4-[2-cyano-2-[(4-nitrophenyl)carbamoyl]ethenyl]-2-methoxy-phenyl] 4-methoxybenzoate|4-{2-cyano-2-[(4-nitrophenyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenyl 4-methoxybenzoate|EN300-26598168
| Molecular Formula | C25H19N3O7 |
|---|---|
| Molecular Weight | 473.12 g/mol |
| LogP | 4.37688 |
| Topological Polar Surface Area | 140.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.1223 |
| Heavy Atoms | 35 |
| Complexity | 1324.6616 |
Chemical Identifiers
| CAS Number | 522604-08-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])OC |
Product Overview
[4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate (CAS 522604-08-6), with molecular formula C25H19N3O7 and molecular weight 473.12 g/mol. IUPAC: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate.
Chemical Property Profile of [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
Property Insights of [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
The XLogP value of 4.37688 indicates that [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.79 Ų indicates high polarity, suggesting [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate has 1 hydrogen bond donor(s) and 8 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 [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
The CAS number of [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate is 522604-08-6.
What is the molecular formula of [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
The molecular formula of [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate is C25H19N3O7.
What is the molecular weight of [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
The molecular weight of [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate is 473.12 g/mol.
Where can I buy [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
You can request a quote for [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.