3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione
TL;DR: 3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione (CAS 401649-39-6) is a chemical compound with molecular formula C21H22N4O4 and molecular weight 394.1641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
Also Known As: DivK1c_004726, CDS1_003686, BIM-0011181.P001, 3-(4-{4-nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione, AB00104213-01
Technical Specifications
| Molecular Formula | C21H22N4O4 |
| Molecular Weight | 394.1641 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 89.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.1641 Da |
| Heavy Atoms | 29 |
| Complexity | 627.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | KSMHULRIJRMLOP-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione
Property Insights of 3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione. Following Lipinski's Rule of Five, 3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione 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
What is the CAS number of 3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione?
The CAS number of 3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione is 401649-39-6.
What is the molecular formula of 3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione?
The molecular formula of 3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione is C21H22N4O4.
What is the molecular weight of 3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione?
The molecular weight of 3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione is 394.1641 g/mol.
Where can I buy 3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione?
You can request a quote for 3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione?
Yes, CoreyChem provides custom synthesis services for 3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-methylphenyl)-2,5-pyrrolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.