![3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid structure](/static/products/3854/385403-47-4.webp)
3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid
TL;DR: 3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid (CAS 385403-47-4) is a chemical compound with molecular formula C17H9Cl3N2O4 and molecular weight 409.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid
Also Known As: AF-399/15033077, 3-[[4-chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid, 3-{[4-chloro-1-(2,5-dichlorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoic acid, 3-((4-chloro-1-(2,5-dichlorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino)benzoic acid
| Molecular Formula | C17H9Cl3N2O4 |
|---|---|
| Molecular Weight | 409.96 g/mol |
| LogP | 4.1273 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.9628 |
| Heavy Atoms | 26 |
| Complexity | 987.7233 |
Chemical Identifiers
| CAS Number | 385403-47-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C(C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)Cl)Cl)C(=O)O |
Product Overview
3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid (CAS 385403-47-4), with molecular formula C17H9Cl3N2O4 and molecular weight 409.96 g/mol. IUPAC: 3-[[4-chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid.
Chemical Property Profile of 3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid
Property Insights of 3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid
The XLogP value of 4.1273 indicates that 3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid. Following Lipinski's Rule of Five, 3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid has 2 hydrogen bond donor(s) and 4 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-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid?
The CAS number of 3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid is 385403-47-4.
What is the molecular formula of 3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid?
The molecular formula of 3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid is C17H9Cl3N2O4.
What is the molecular weight of 3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid?
The molecular weight of 3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid is 409.96 g/mol.
Where can I buy 3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid?
You can request a quote for 3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-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-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[4-Chloro-1-(2,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.