![Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate structure](/static/products/804/804530-90-3.png)
Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
TL;DR: Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate (CAS 804530-90-3) is a chemical compound with molecular formula C20H17ClN2O4 and molecular weight 384.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
Also Known As: methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate, Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxo-pyrrol-3-yl]amino]benzoate
| Molecular Formula | C20H17ClN2O4 |
|---|---|
| Molecular Weight | 384.09 g/mol |
| LogP | 3.52574 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.08768 |
| Heavy Atoms | 27 |
| Complexity | 979.97626 |
Chemical Identifiers
| CAS Number | 804530-90-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)OC)C |
Product Overview
Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate (CAS 804530-90-3), with molecular formula C20H17ClN2O4 and molecular weight 384.09 g/mol. IUPAC: methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate.
Chemical Property Profile of Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
Property Insights of Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
The XLogP value of 3.52574 indicates that Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-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 Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
The CAS number of Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate is 804530-90-3.
What is the molecular formula of Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
The molecular formula of Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate is C20H17ClN2O4.
What is the molecular weight of Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
The molecular weight of Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate is 384.09 g/mol.
Where can I buy Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
You can request a quote for Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-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 Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[4-chloro-1-(2,3-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.