![4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid structure](/static/products/6909/690963-97-4.webp)
4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid
TL;DR: 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid (CAS 690963-97-4) is a chemical compound with molecular formula C27H22ClNO4 and molecular weight 459.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(3E)-5-(4-chlorophenyl)-3-[(4-ethoxyphenyl)methylidene]-2-oxopyrrol-1-yl]methyl]benzoic acid
Also Known As: 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid, (E)-4-((5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)methyl)benzoic acid, 4-[[(3E)-5-(4-chlorophenyl)-3-[(4-ethoxyphenyl)methylidene]-2-oxopyrrol-1-yl]methyl]benzoic acid, 4-[[5-(4-chlorophenyl)-3-[(4-ethoxyphenyl)methylidene]-2-oxo-pyrrol-1-yl]methyl]benzoic Acid
| Molecular Formula | C27H22ClNO4 |
|---|---|
| Molecular Weight | 459.12 g/mol |
| LogP | 5.9038 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.12375 |
| Heavy Atoms | 33 |
| Complexity | 1226.6228 |
Chemical Identifiers
| CAS Number | 690963-97-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C=C/2\C=C(N(C2=O)CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl |
Product Overview
4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid (CAS 690963-97-4), with molecular formula C27H22ClNO4 and molecular weight 459.12 g/mol. IUPAC: 4-[[(3E)-5-(4-chlorophenyl)-3-[(4-ethoxyphenyl)methylidene]-2-oxopyrrol-1-yl]methyl]benzoic acid.
Chemical Property Profile of 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid
Property Insights of 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid
The XLogP value of 5.9038 indicates that 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid?
The CAS number of 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid is 690963-97-4.
What is the molecular formula of 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid?
The molecular formula of 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid is C27H22ClNO4.
What is the molecular weight of 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid?
The molecular weight of 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid is 459.12 g/mol.
Where can I buy 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid?
You can request a quote for 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.