![4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid structure](/static/products/4468/446827-18-5.webp)
4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid
TL;DR: 4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid (CAS 446827-18-5) is a chemical compound with molecular formula C18H13ClN2O4 and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid
Also Known As: 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid, 4-[(1-benzyl-4-chloro-2,5-dioxo-pyrrol-3-yl)amino]benzoic Acid, 4-[[4-Chloro-2,5-dihydro-2,5-dioxo-1-(phenylmethyl)-1H-pyrrol-3-yl]amino]benzoic acid, 4-{[4-chloro-2,5-dioxo-1-benzylazolin-3-yl]amino}benzoic acid, 4-[(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoic acid
| Molecular Formula | C18H13ClN2O4 |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 2.8161 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.0564 |
| Heavy Atoms | 25 |
| Complexity | 875.7089 |
Chemical Identifiers
| CAS Number | 446827-18-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid (CAS 446827-18-5), with molecular formula C18H13ClN2O4 and molecular weight 356.06 g/mol. IUPAC: 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid.
Chemical Property Profile of 4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid
Property Insights of 4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid
The XLogP value of 2.8161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(1-Benzyl-4-chloro-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 4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid?
The CAS number of 4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid is 446827-18-5.
What is the molecular formula of 4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid?
The molecular formula of 4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid is C18H13ClN2O4.
What is the molecular weight of 4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid?
The molecular weight of 4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid is 356.06 g/mol.
Where can I buy 4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid?
You can request a quote for 4-[(1-Benzyl-4-chloro-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 4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1-Benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.