4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one
TL;DR: 4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one (CAS 591726-36-2) is a chemical compound with molecular formula C25H22N4O3 and molecular weight 426.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one
Also Known As: 2-(2-nitro-5-(pyrrolidin-1-yl)phenyl)-4-(p-tolyl)phthalazin-1(2H)-one, 4-(4-methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one, 4-(4-methylphenyl)-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one, 4-(4-methylphenyl)-2-(2-nitro-5-pyrrolidin-1-yl-phenyl)phthalazin-1-one, 4-(4-METHYLPHENYL)-2-[2-NITRO-5-(PYRROLIDIN-1-YL)PHENYL]-1,2-DIHYDROPHTHALAZIN-1-ONE
| Molecular Formula | C25H22N4O3 |
|---|---|
| Molecular Weight | 426.17 g/mol |
| LogP | 4.86952 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.1692 |
| Heavy Atoms | 32 |
| Complexity | 1386.9741 |
Chemical Identifiers
| CAS Number | 591726-36-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCCC5)[N+](=O)[O-] |
Product Overview
4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one (CAS 591726-36-2), with molecular formula C25H22N4O3 and molecular weight 426.17 g/mol. IUPAC: 4-(4-methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one.
Chemical Property Profile of 4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one
Property Insights of 4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one
The XLogP value of 4.86952 indicates that 4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one. Following Lipinski's Rule of Five, 4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one has 0 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 4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one?
The CAS number of 4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one is 591726-36-2.
What is the molecular formula of 4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one?
The molecular formula of 4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one is C25H22N4O3.
What is the molecular weight of 4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one?
The molecular weight of 4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one is 426.17 g/mol.
Where can I buy 4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one?
You can request a quote for 4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)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-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylphenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.