![3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid structure](/static/products/440/440096-69-5.png)
3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
TL;DR: 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid (CAS 440096-69-5) is a chemical compound with molecular formula C21H18ClNO6 and molecular weight 415.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid
Also Known As: 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid, 3-(3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)propanoic acid, 3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid, 3-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid
| Molecular Formula | C21H18ClNO6 |
|---|---|
| Molecular Weight | 415.08 g/mol |
| LogP | 3.245 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.08228 |
| Heavy Atoms | 29 |
| Complexity | 981.23584 |
Chemical Identifiers
| CAS Number | 440096-69-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CCC(=O)O |
Product Overview
3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid (CAS 440096-69-5), with molecular formula C21H18ClNO6 and molecular weight 415.08 g/mol. IUPAC: 3-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid.
Chemical Property Profile of 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
Property Insights of 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
The XLogP value of 3.245 indicates that 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid has 2 hydrogen bond donor(s) and 5 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 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid?
The CAS number of 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid is 440096-69-5.
What is the molecular formula of 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid?
The molecular formula of 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid is C21H18ClNO6.
What is the molecular weight of 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid?
The molecular weight of 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid is 415.08 g/mol.
Where can I buy 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid?
You can request a quote for 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.