![[4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate structure](/static/products/7224/722473-67-8.webp)
[4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate
TL;DR: [4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate (CAS 722473-67-8) is a chemical compound with molecular formula C28H25FN2O4 and molecular weight 472.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate
Also Known As: [4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate|[4-[2-cyano-2-[(2,6-diethylphenyl)carbamoyl]ethenyl]-2-methoxy-phenyl] 4-fluorobenzoate|4-{2-cyano-2-[(2,6-diethylphenyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenyl 4-fluorobenzoate|EN300-26600078
| Molecular Formula | C28H25FN2O4 |
|---|---|
| Molecular Weight | 472.18 g/mol |
| LogP | 5.72398 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.17984 |
| Heavy Atoms | 35 |
| Complexity | 1285.2728 |
Chemical Identifiers
| CAS Number | 722473-67-8 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)F)OC)/C#N |
Product Overview
[4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate (CAS 722473-67-8), with molecular formula C28H25FN2O4 and molecular weight 472.18 g/mol. IUPAC: [4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate.
Chemical Property Profile of [4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate
Property Insights of [4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate
The XLogP value of 5.72398 indicates that [4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate. Following Lipinski's Rule of Five, [4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate has 1 hydrogen bond donor(s) and 5 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-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate?
The CAS number of [4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate is 722473-67-8.
What is the molecular formula of [4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate?
The molecular formula of [4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate is C28H25FN2O4.
What is the molecular weight of [4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate?
The molecular weight of [4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate is 472.18 g/mol.
Where can I buy [4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate?
You can request a quote for [4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate 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-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.