![4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate structure](/static/products/6904/6904-89-8.webp)
4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
TL;DR: 4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate (CAS 6904-89-8) is a chemical compound with molecular formula C19H14ClN2O6- and molecular weight 401.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
Also Known As: 4-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate, 4-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxo-pyrrol-3-yl]amino]benzoate, 4-{[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate
| Molecular Formula | C19H14ClN2O6- |
|---|---|
| Molecular Weight | 401.05 g/mol |
| LogP | 1.503 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.05405 |
| Heavy Atoms | 28 |
| Complexity | 999.98346 |
Chemical Identifiers
| CAS Number | 6904-89-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)[O-])OC |
Product Overview
4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate (CAS 6904-89-8), with molecular formula C19H14ClN2O6- and molecular weight 401.05 g/mol. IUPAC: 4-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate.
Chemical Property Profile of 4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
Property Insights of 4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
The XLogP value of 1.503 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate. Following Lipinski's Rule of Five, 4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate has 1 hydrogen bond donor(s) and 7 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-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
The CAS number of 4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate is 6904-89-8.
What is the molecular formula of 4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
The molecular formula of 4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate is C19H14ClN2O6-.
What is the molecular weight of 4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
The molecular weight of 4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate is 401.05 g/mol.
Where can I buy 4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
You can request a quote for 4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-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-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-Chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.