(E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
TL;DR: (E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid (CAS 425609-27-4) is a chemical compound with molecular formula C26H18BrNO5 and molecular weight 503.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-bromophenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid
Also Known As: (E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid, 3-[2-(4-bromophenyl)-4-hydroxy-5-oxo-3-(3-phenylprop-2-enoyl)-2H-pyrrol-1-yl]benzoic Acid, 3-[2-(4-bromophenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid, 3-{2-(4-bromophenyl)-4-hydroxy-5-oxo-3-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid
| Molecular Formula | C26H18BrNO5 |
|---|---|
| Molecular Weight | 503.04 g/mol |
| LogP | 5.3298 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.03683 |
| Heavy Atoms | 33 |
| Complexity | 1295.7722 |
Chemical Identifiers
| CAS Number | 425609-27-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)Br)C4=CC=CC(=C4)C(=O)O)O |
Product Overview
(E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid (CAS 425609-27-4), with molecular formula C26H18BrNO5 and molecular weight 503.04 g/mol. IUPAC: 3-[2-(4-bromophenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid.
Chemical Property Profile of (E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
Property Insights of (E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
The XLogP value of 5.3298 indicates that (E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-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 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid. Following Lipinski's Rule of Five, (E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid?
The CAS number of (E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid is 425609-27-4.
What is the molecular formula of (E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid?
The molecular formula of (E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid is C26H18BrNO5.
What is the molecular weight of (E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid?
The molecular weight of (E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid is 503.04 g/mol.
Where can I buy (E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid?
You can request a quote for (E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-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-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2-(4-bromophenyl)-3-cinnamoyl-4-hydroxy-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.