![3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid structure](/static/products/3028/302803-96-9.webp)
3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid
TL;DR: 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid (CAS 302803-96-9) is a chemical compound with molecular formula C17H11ClN2O4 and molecular weight 342.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chloro-2,5-dioxo-1-phenylpyrrol-3-yl)amino]benzoic acid
Also Known As: 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid, 3-[(4-chloro-2,5-dioxo-1-phenylpyrrol-3-yl)amino]benzoic acid, 3-[(4-chloro-2,5-dioxo-1-phenyl-pyrrol-3-yl)amino]benzoic Acid, 3-[(4-chloro-2,5-dioxo-1-phenylazolin-3-yl)amino]benzoic acid, 3-((4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino)benzoic acid
| Molecular Formula | C17H11ClN2O4 |
|---|---|
| Molecular Weight | 342.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.04074 |
| Heavy Atoms | 24 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 302803-96-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)O |
| InChIKey | FOUYVXMZWZAALL-UHFFFAOYSA-N |
Product Overview
3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid (CAS 302803-96-9), with molecular formula C17H11ClN2O4 and molecular weight 342.04 g/mol. IUPAC: 3-[(4-chloro-2,5-dioxo-1-phenylpyrrol-3-yl)amino]benzoic acid.
Chemical Property Profile of 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid
Property Insights of 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid
The XLogP value of 3.2 indicates that 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]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 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid?
The CAS number of 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid is 302803-96-9.
What is the molecular formula of 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid?
The molecular formula of 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid is C17H11ClN2O4.
What is the molecular weight of 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid?
The molecular weight of 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid is 342.04 g/mol.
Where can I buy 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid?
You can request a quote for 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.