4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one
TL;DR: 4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one (CAS 642429-80-9) is a chemical compound with molecular formula C26H25N5O3 and molecular weight 455.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one
Also Known As: 4-(3,4-dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one, 4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperazin-1-yl)phenyl]phthalazin-1(2H)-one, 4-(3,4-dimethylphenyl)-2-(2-nitro-5-piperazin-1-yl-phenyl)phthalazin-1-one, 4-(3,4-dimethylphenyl)-2-(2-nitro-5-piperazinylphenyl)-2-hydrophthalazin-1-one, 4-(3,4-dimethylphenyl)-2-[2-nitro-5-(1-piperazinyl)phenyl]-1(2H)-phthalazinone
| Molecular Formula | C26H25N5O3 |
|---|---|
| Molecular Weight | 455.20 g/mol |
| LogP | 3.98734 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.19574 |
| Heavy Atoms | 34 |
| Complexity | 1471.5232 |
Chemical Identifiers
| CAS Number | 642429-80-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCNCC5)[N+](=O)[O-])C |
Product Overview
4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one (CAS 642429-80-9), with molecular formula C26H25N5O3 and molecular weight 455.20 g/mol. IUPAC: 4-(3,4-dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one.
Chemical Property Profile of 4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one
Property Insights of 4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one
The XLogP value of 3.98734 indicates that 4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one. Following Lipinski's Rule of Five, 4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one has 1 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-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one?
The CAS number of 4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one is 642429-80-9.
What is the molecular formula of 4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one?
The molecular formula of 4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one is C26H25N5O3.
What is the molecular weight of 4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one?
The molecular weight of 4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one is 455.20 g/mol.
Where can I buy 4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one?
You can request a quote for 4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-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-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dimethylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.