![4-[4-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one structure](/static/products/5870/587005-91-2.webp)
4-[4-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one
TL;DR: 4-[4-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one (CAS 587005-91-2) 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-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one
Also Known As: 4-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one, 4-[4-(4-benzylpiperazin-1-yl)-3-nitro-phenyl]-2-methyl-phthalazin-1-one, 4-(4-(4-benzylpiperazin-1-yl)-3-nitrophenyl)-2-methylphthalazin-1(2H)-one, 4-[4-(4-BENZYLPIPERAZIN-1-YL)-3-NITROPHENYL]-2-METHYL-1,2-DIHYDROPHTHALAZIN-1-ONE, 4-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1(2H)-one
| Molecular Formula | C26H25N5O3 |
|---|---|
| Molecular Weight | 455.20 g/mol |
| LogP | 3.8309 |
| Topological Polar Surface Area | 84.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.19574 |
| Heavy Atoms | 34 |
| Complexity | 1409.3899 |
Chemical Identifiers
| CAS Number | 587005-91-2 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-] |
Product Overview
4-[4-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one (CAS 587005-91-2), with molecular formula C26H25N5O3 and molecular weight 455.20 g/mol. IUPAC: 4-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one.
Chemical Property Profile of 4-[4-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one
Property Insights of 4-[4-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one
The XLogP value of 3.8309 indicates that 4-[4-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-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-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one. Following Lipinski's Rule of Five, 4-[4-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-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-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one?
The CAS number of 4-[4-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one is 587005-91-2.
What is the molecular formula of 4-[4-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one?
The molecular formula of 4-[4-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one is C26H25N5O3.
What is the molecular weight of 4-[4-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one?
The molecular weight of 4-[4-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one is 455.20 g/mol.
Where can I buy 4-[4-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one?
You can request a quote for 4-[4-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-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-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(4-Benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.