ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate
TL;DR: ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate (CAS 302803-92-5) is a chemical compound with molecular formula C19H15ClN2O4 and molecular weight 370.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-chloro-2,5-dioxo-1-phenylpyrrol-3-yl)amino]benzoate
Also Known As: ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate, ethyl 4-[(4-chloro-2,5-dioxo-1-phenylazolin-3-yl)amino]benzoate, ethyl 4-((4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino)benzoate
| Molecular Formula | C19H15ClN2O4 |
|---|---|
| Molecular Weight | 370.07 g/mol |
| LogP | 3.299 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.07202 |
| Heavy Atoms | 26 |
| Complexity | 891.51495 |
Chemical Identifiers
| CAS Number | 302803-92-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC=CC=C3)Cl |
Product Overview
ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate (CAS 302803-92-5), with molecular formula C19H15ClN2O4 and molecular weight 370.07 g/mol. IUPAC: ethyl 4-[(4-chloro-2,5-dioxo-1-phenylpyrrol-3-yl)amino]benzoate.
Chemical Property Profile of ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate
Property Insights of ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate
The XLogP value of 3.299 indicates that ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-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 ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-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 ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate?
The CAS number of ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate is 302803-92-5.
What is the molecular formula of ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate?
The molecular formula of ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate is C19H15ClN2O4.
What is the molecular weight of ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate?
The molecular weight of ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate is 370.07 g/mol.
Where can I buy ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate?
You can request a quote for ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-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 ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.