![3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione structure](/static/products/6878/6878-63-3.webp)
3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione
TL;DR: 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione (CAS 6878-63-3) is a chemical compound with molecular formula C30H30ClN4O3+ and molecular weight 529.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione
Also Known As: 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione, 1-Benzyl-4-(3-{[4-chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoyl)piperazin-1-ium
| Molecular Formula | C30H30ClN4O3+ |
|---|---|
| Molecular Weight | 529.20 g/mol |
| LogP | 3.2256 |
| Topological Polar Surface Area | 74.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 529.2006 |
| Heavy Atoms | 38 |
| Complexity | 1380.1216 |
Chemical Identifiers
| CAS Number | 6878-63-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5 |
Product Overview
3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione (CAS 6878-63-3), with molecular formula C30H30ClN4O3+ and molecular weight 529.20 g/mol. IUPAC: 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione.
Chemical Property Profile of 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione
Property Insights of 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione
The XLogP value of 3.2256 indicates that 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione. Following Lipinski's Rule of Five, 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione?
The CAS number of 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione is 6878-63-3.
What is the molecular formula of 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione?
The molecular formula of 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione is C30H30ClN4O3+.
What is the molecular weight of 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione?
The molecular weight of 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione is 529.20 g/mol.
Where can I buy 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione?
You can request a quote for 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(4-benzylpiperazin-4-ium-1-carbonyl)anilino]-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.