4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one
TL;DR: 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one (CAS 642430-77-1) is a chemical compound with molecular formula C26H25N5O5S and molecular weight 519.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]phthalazin-1-one
Also Known As: 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one, 4-methyl-2-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]phthalazin-1-one, 4-methyl-2-(5-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-2-nitrophenyl)phthalazin-1(2H)-one, 4-methyl-2-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one
| Molecular Formula | C26H25N5O5S |
|---|---|
| Molecular Weight | 519.16 g/mol |
| LogP | 3.42164 |
| Topological Polar Surface Area | 118.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.15765 |
| Heavy Atoms | 37 |
| Complexity | 1674.4188 |
Chemical Identifiers
| CAS Number | 642430-77-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C |
Product Overview
4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one (CAS 642430-77-1), with molecular formula C26H25N5O5S and molecular weight 519.16 g/mol. IUPAC: 4-methyl-2-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]phthalazin-1-one.
Chemical Property Profile of 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one
Property Insights of 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one
The XLogP value of 3.42164 indicates that 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one. Following Lipinski's Rule of Five, 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one?
The CAS number of 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one is 642430-77-1.
What is the molecular formula of 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one?
The molecular formula of 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one is C26H25N5O5S.
What is the molecular weight of 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one?
The molecular weight of 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one is 519.16 g/mol.
Where can I buy 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one?
You can request a quote for 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-2-(2-nitro-5-(4-tosylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.