![4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid structure](/static/products/3316/331627-22-6.webp)
4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid
TL;DR: 4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid (CAS 331627-22-6) is a chemical compound with molecular formula C18H15ClN2O4 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(4-chlorophenyl)methylamino]-2,5-dioxopyrrolidin-1-yl]benzoic acid
Also Known As: 4-{3-[(4-chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid, 4-(3-((4-chlorobenzyl)amino)-2,5-dioxopyrrolidin-1-yl)benzoic acid, 4-(3-{[(4-chlorophenyl)methyl]amino}-2,5-dioxoazolidinyl)benzoic acid, 4-[3-[(4-chlorophenyl)methylamino]-2,5-dioxo-pyrrolidin-1-yl]benzoic Acid, 4-[3-[(4-chlorophenyl)methylamino]-2,5-dioxopyrrolidin-1-yl]benzoic acid
| Molecular Formula | C18H15ClN2O4 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 2.4599 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.07202 |
| Heavy Atoms | 25 |
| Complexity | 817.9746 |
Chemical Identifiers
| CAS Number | 331627-22-6 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)NCC3=CC=C(C=C3)Cl |
Product Overview
4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid (CAS 331627-22-6), with molecular formula C18H15ClN2O4 and molecular weight 358.07 g/mol. IUPAC: 4-[3-[(4-chlorophenyl)methylamino]-2,5-dioxopyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of 4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid
Property Insights of 4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid
The XLogP value of 2.4599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid. Following Lipinski's Rule of Five, 4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}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-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid?
The CAS number of 4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid is 331627-22-6.
What is the molecular formula of 4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid?
The molecular formula of 4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid is C18H15ClN2O4.
What is the molecular weight of 4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid?
The molecular weight of 4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid is 358.07 g/mol.
Where can I buy 4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid?
You can request a quote for 4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-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-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{3-[(4-Chlorobenzyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.