![4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one structure](/static/products/3316/331677-20-4.webp)
4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one
TL;DR: 4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one (CAS 331677-20-4) is a chemical compound with molecular formula C25H22FN5O3 and molecular weight 459.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one
Also Known As: BAS 00459530, BIM-0026091.P001, A1263/0057752, 4-(4-fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one, 4-(4-fluorophenyl)-2-(5-(4-methylpiperazin-1-yl)-2-nitrophenyl)phthalazin-1(2H)-one
| Molecular Formula | C25H22FN5O3 |
|---|---|
| Molecular Weight | 459.17 g/mol |
| LogP | 3.8518 |
| Topological Polar Surface Area | 84.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.17065 |
| Heavy Atoms | 34 |
| Complexity | 1443.6527 |
Chemical Identifiers
| CAS Number | 331677-20-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)F |
Product Overview
4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one (CAS 331677-20-4), with molecular formula C25H22FN5O3 and molecular weight 459.17 g/mol. IUPAC: 4-(4-fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one.
Chemical Property Profile of 4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one
Property Insights of 4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one
The XLogP value of 3.8518 indicates that 4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one. Following Lipinski's Rule of Five, 4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one 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 4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one?
The CAS number of 4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one is 331677-20-4.
What is the molecular formula of 4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one?
The molecular formula of 4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one is C25H22FN5O3.
What is the molecular weight of 4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one?
The molecular weight of 4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one is 459.17 g/mol.
Where can I buy 4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one?
You can request a quote for 4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Fluorophenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.