(E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid
TL;DR: (E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid (CAS 575469-45-3) is a chemical compound with molecular formula C23H19N3O4 and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(E)-[1-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid
Also Known As: (E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid, 3-(2-{(E)-[2-hydroxy-1-(4-methylbenzyl)-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid, 3-[2-[(E)-[1-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid, 3-[2-[[1-[(4-methylphenyl)methyl]-2,5-dioxo-imidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic Acid
| Molecular Formula | C23H19N3O4 |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 3.57682 |
| Topological Polar Surface Area | 91.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.13754 |
| Heavy Atoms | 30 |
| Complexity | 1175.1687 |
Chemical Identifiers
| CAS Number | 575469-45-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/NC2=O |
Product Overview
(E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid (CAS 575469-45-3), with molecular formula C23H19N3O4 and molecular weight 401.14 g/mol. IUPAC: 3-[2-[(E)-[1-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid.
Chemical Property Profile of (E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid
Property Insights of (E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid
The XLogP value of 3.57682 indicates that (E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid. Following Lipinski's Rule of Five, (E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid has 2 hydrogen bond donor(s) and 3 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-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid?
The CAS number of (E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid is 575469-45-3.
What is the molecular formula of (E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid?
The molecular formula of (E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid is C23H19N3O4.
What is the molecular weight of (E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid?
The molecular weight of (E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid is 401.14 g/mol.
Where can I buy (E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid?
You can request a quote for (E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-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-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2-((1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.