![[4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate structure](/static/products/7487/748778-39-4.webp)
[4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate
TL;DR: [4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate (CAS 748778-39-4) is a chemical compound with molecular formula C27H24N2O5 and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate
Also Known As: [4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate|4-{2-cyano-2-[(4-methoxyphenyl)carbamoyl]eth-1-en-1-yl}-2-ethoxyphenyl 4-methylbenzoate|EN300-26593550
| Molecular Formula | C27H24N2O5 |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 5.1672 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.16852 |
| Heavy Atoms | 34 |
| Complexity | 1239.5072 |
Chemical Identifiers
| CAS Number | 748778-39-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)OC)OC(=O)C3=CC=C(C=C3)C |
Product Overview
[4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate (CAS 748778-39-4), with molecular formula C27H24N2O5 and molecular weight 456.17 g/mol. IUPAC: [4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate.
Chemical Property Profile of [4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate
Property Insights of [4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate
The XLogP value of 5.1672 indicates that [4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate. Following Lipinski's Rule of Five, [4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate has 1 hydrogen bond donor(s) and 6 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)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate?
The CAS number of [4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate is 748778-39-4.
What is the molecular formula of [4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate?
The molecular formula of [4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate is C27H24N2O5.
What is the molecular weight of [4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate?
The molecular weight of [4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate is 456.17 g/mol.
Where can I buy [4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate?
You can request a quote for [4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate 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-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.