4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid
TL;DR: 4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid (CAS 577962-95-9) is a chemical compound with molecular formula C15H11N3O4 and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]pyrrol-1-yl]benzoic acid
Also Known As: J2.988.614H, (E)-4-[2-(2,5-Dioxo-imidazolidin-4-ylidenemethyl)-pyrrol-1-yl]-benzoic acid, 4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid, 4-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]pyrrol-1-yl]benzoic acid, 4-[2-[(2,5-dioxoimidazolidin-4-ylidene)methyl]pyrrol-1-yl]benzoic Acid
| Molecular Formula | C15H11N3O4 |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 1.3558 |
| Topological Polar Surface Area | 100.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.07495 |
| Heavy Atoms | 22 |
| Complexity | 802.45 |
Chemical Identifiers
| CAS Number | 577962-95-9 |
|---|---|
| SMILES | C1=CN(C(=C1)/C=C/2\C(=O)NC(=O)N2)C3=CC=C(C=C3)C(=O)O |
Product Overview
4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid (CAS 577962-95-9), with molecular formula C15H11N3O4 and molecular weight 297.07 g/mol. IUPAC: 4-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]pyrrol-1-yl]benzoic acid.
Chemical Property Profile of 4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid
Property Insights of 4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid
The XLogP value of 1.3558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid. The TPSA of 100.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid has 3 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 4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid?
The CAS number of 4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid is 577962-95-9.
What is the molecular formula of 4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid?
The molecular formula of 4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid is C15H11N3O4.
What is the molecular weight of 4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid?
The molecular weight of 4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid is 297.07 g/mol.
Where can I buy 4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid?
You can request a quote for 4-(2-((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 4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((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.