![4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate structure](/static/products/6864/6864-72-8.webp)
4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate
TL;DR: 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate (CAS 6864-72-8) is a chemical compound with molecular formula C19H14ClN2O4- and molecular weight 369.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-chloro-1-(4-ethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
Also Known As: 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate, 4-[[4-chloro-1-(4-ethylphenyl)-2,5-dioxo-pyrrol-3-yl]amino]benzoate, 4-[[4-chloro-1-(4-ethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
| Molecular Formula | C19H14ClN2O4- |
|---|---|
| Molecular Weight | 369.06 g/mol |
| LogP | 2.0482 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.0642 |
| Heavy Atoms | 26 |
| Complexity | 917.56024 |
Chemical Identifiers
| CAS Number | 6864-72-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)[O-] |
Product Overview
4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate (CAS 6864-72-8), with molecular formula C19H14ClN2O4- and molecular weight 369.06 g/mol. IUPAC: 4-[[4-chloro-1-(4-ethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate.
Chemical Property Profile of 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate
Property Insights of 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate
The XLogP value of 2.0482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate. Following Lipinski's Rule of Five, 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate has 1 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 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate?
The CAS number of 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate is 6864-72-8.
What is the molecular formula of 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate?
The molecular formula of 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate is C19H14ClN2O4-.
What is the molecular weight of 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate?
The molecular weight of 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate is 369.06 g/mol.
Where can I buy 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate?
You can request a quote for 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-Chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.