![Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate structure](/static/products/804/804479-85-4.png)
Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate
TL;DR: Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate (CAS 804479-85-4) is a chemical compound with molecular formula C23H22ClN3O4 and molecular weight 439.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate
Also Known As: Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate, ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)-2,5-dihydro-1H-pyrrol-1-yl]benzoate
| Molecular Formula | C23H22ClN3O4 |
|---|---|
| Molecular Weight | 439.13 g/mol |
| LogP | 3.0091 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.12988 |
| Heavy Atoms | 31 |
| Complexity | 1028.5469 |
Chemical Identifiers
| CAS Number | 804479-85-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)C4=CC=CC=C4 |
Product Overview
Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate (CAS 804479-85-4), with molecular formula C23H22ClN3O4 and molecular weight 439.13 g/mol. IUPAC: ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate.
Chemical Property Profile of Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate
Property Insights of Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate
The XLogP value of 3.0091 indicates that Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate has 0 hydrogen bond donor(s) and 6 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-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate?
The CAS number of Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate is 804479-85-4.
What is the molecular formula of Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate?
The molecular formula of Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate is C23H22ClN3O4.
What is the molecular weight of Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate?
The molecular weight of Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate is 439.13 g/mol.
Where can I buy Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate?
You can request a quote for Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)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 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.