(E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
TL;DR: (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid (CAS 500280-32-0) is a chemical compound with molecular formula C27H21NO6 and molecular weight 455.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid
Also Known As: (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid, 3-[(3E)-3-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]benzoic acid, 3-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(3-phenylprop-2-enoyl)-2H-pyrrol-1-yl]benzoic Acid, 3-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid
| Molecular Formula | C27H21NO6 |
|---|---|
| Molecular Weight | 455.14 g/mol |
| LogP | 4.5759 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.1369 |
| Heavy Atoms | 34 |
| Complexity | 1325.7117 |
Chemical Identifiers
| CAS Number | 500280-32-0 |
|---|---|
| SMILES | COC1=CC=CC=C1C2C(=C(C(=O)N2C3=CC=CC(=C3)C(=O)O)O)C(=O)/C=C/C4=CC=CC=C4 |
Product Overview
(E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid (CAS 500280-32-0), with molecular formula C27H21NO6 and molecular weight 455.14 g/mol. IUPAC: 3-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid.
Chemical Property Profile of (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
Property Insights of (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
The XLogP value of 4.5759 indicates that (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic 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 (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid. Following Lipinski's Rule of Five, (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic 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 (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid?
The CAS number of (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid is 500280-32-0.
What is the molecular formula of (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid?
The molecular formula of (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid is C27H21NO6.
What is the molecular weight of (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid?
The molecular weight of (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid is 455.14 g/mol.
Where can I buy (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid?
You can request a quote for (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-cinnamoyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.