![Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate structure](/static/products/6872/6872-15-7.webp)
Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate
TL;DR: Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate (CAS 6872-15-7) is a chemical compound with molecular formula C21H19ClN2O4 and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxopyrrol-1-yl]benzoate
Also Known As: Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate, ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxopyrrol-1-yl]benzoate, Ethyl 2-[3-chloro-4-[(2-ethylphenyl)amino]-2,5-dioxo-pyrrol-1-yl]benzoate
| Molecular Formula | C21H19ClN2O4 |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 3.8614 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.10333 |
| Heavy Atoms | 28 |
| Complexity | 983.8758 |
Chemical Identifiers
| CAS Number | 6872-15-7 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC2=C(C(=O)N(C2=O)C3=CC=CC=C3C(=O)OCC)Cl |
Product Overview
Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate (CAS 6872-15-7), with molecular formula C21H19ClN2O4 and molecular weight 398.10 g/mol. IUPAC: ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxopyrrol-1-yl]benzoate.
Chemical Property Profile of Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate
Property Insights of Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate
The XLogP value of 3.8614 indicates that Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]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 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]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 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate?
The CAS number of Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate is 6872-15-7.
What is the molecular formula of Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate?
The molecular formula of Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate is C21H19ClN2O4.
What is the molecular weight of Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate?
The molecular weight of Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate is 398.10 g/mol.
Where can I buy Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate?
You can request a quote for Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[3-chloro-4-(2-ethylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.