![[5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate structure](/static/products/5226/522604-22-4.webp)
[5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
TL;DR: [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate (CAS 522604-22-4) is a chemical compound with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
Also Known As: [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate|[5-[2-cyano-2-[(4-methoxyphenyl)carbamoyl]ethenyl]-2-methoxy-phenyl] 4-methoxybenzoate|5-{2-cyano-2-[(4-methoxyphenyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenyl 4-methoxybenzoate|EN300-26591892
| Molecular Formula | C26H22N2O6 |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | 4.47728 |
| Topological Polar Surface Area | 106.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.1478 |
| Heavy Atoms | 34 |
| Complexity | 1241.7776 |
Chemical Identifiers
| CAS Number | 522604-22-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)OC)OC |
Product Overview
[5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate (CAS 522604-22-4), with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol. IUPAC: [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate.
Chemical Property Profile of [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
Property Insights of [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
The XLogP value of 4.47728 indicates that [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.88 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate. Following Lipinski's Rule of Five, [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate has 1 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 [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
The CAS number of [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate is 522604-22-4.
What is the molecular formula of [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
The molecular formula of [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate is C26H22N2O6.
What is the molecular weight of [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
The molecular weight of [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate is 458.15 g/mol.
Where can I buy [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
You can request a quote for [5-[(E)-2-cyano-3-(4-methoxyanilino)-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 [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.