2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)phthalazin-1(2H)-one
TL;DR: 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)phthalazin-1(2H)-one (CAS 593237-64-0) is a chemical compound with molecular formula C27H27N5O5S and molecular weight 533.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one
Also Known As: 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)phthalazin-1(2H)-one, 2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one, 2-{5-[4-(ethylsulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-(4-methylphenyl)phthalazin-1(2H)-one, 2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-4-(4-methylphenyl)phthalazin-1-one
| Molecular Formula | C27H27N5O5S |
|---|---|
| Molecular Weight | 533.17 g/mol |
| LogP | 3.74102 |
| Topological Polar Surface Area | 118.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.1733 |
| Heavy Atoms | 38 |
| Complexity | 1691.774 |
Chemical Identifiers
| CAS Number | 593237-64-0 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)C |
Product Overview
2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)phthalazin-1(2H)-one (CAS 593237-64-0), with molecular formula C27H27N5O5S and molecular weight 533.17 g/mol. IUPAC: 2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one.
Chemical Property Profile of 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)phthalazin-1(2H)-one
Property Insights of 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)phthalazin-1(2H)-one
The XLogP value of 3.74102 indicates that 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)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 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)phthalazin-1(2H)-one. Following Lipinski's Rule of Five, 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)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 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)phthalazin-1(2H)-one?
The CAS number of 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)phthalazin-1(2H)-one is 593237-64-0.
What is the molecular formula of 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)phthalazin-1(2H)-one?
The molecular formula of 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)phthalazin-1(2H)-one is C27H27N5O5S.
What is the molecular weight of 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)phthalazin-1(2H)-one?
The molecular weight of 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)phthalazin-1(2H)-one is 533.17 g/mol.
Where can I buy 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)phthalazin-1(2H)-one?
You can request a quote for 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)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 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-(p-tolyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.